Amphetamine (C9H13N): structure, properties and hazards

Names and identifiers

IUPAC name: 1-phenylpropan-2-amine
Synonyms: Adderall, alpha-methylphenethylamine, Amfetamine
+ 37 more
1-phenylpropan-2-amine, dl-Amphetamine, 1-Phenyl-2-aminopropane, Desoxynorephedrine, Norephedrane, Elastonon, Fenopromin, Phenedrine, beta-Aminopropylbenzene, Propisamine, Psychedrine, Raphetamine, Rhinalator, Simpatedrin, Sympatedrine, Actedron, Allodene, Anorexide, Anorexine, Benzebar, Benzolone, Isoamyne, Mecodrin, Novydrine, Oktedrin, Ortedrine, Percomon, Profamina, Simpatina, Sympamine, Weckamine, Adipan, Finam, Isomyn, 1-Methyl-2-phenylethylamine, 1-Phenyl-2-propylamine, amfetaminum
Molecular formula: C₉H₁₃N
Empirical formula: C₉H₁₃N
Molecular weight: 135.21 g/mol
Exact mass: 135.10480
CAS number: 300-62-9
PubChem CID: 3007
Canonical SMILES: CC(CC1=CC=CC=C1)N
Isomeric SMILES: CC(CC1=CC=CC=C1)N
InChI: InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
InChIKey: KWTSXDURSIMDCE-UHFFFAOYSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Physical properties

TemperaturePressureDensity

Appearance: Colorless, volatile liquid[2]
2 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Colored liquid with an amine odor. Used as a pharmaceutical, a central nervous system stimulant. (EPA, 1998) [1] CAMEO Chemicalscites U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office.
–shown Colorless, volatile liquid [2] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 75
Odor: Characteristic strong odor[2]
Boiling point: 200 to 203 °C (392 to 397 °F) at 760 mmHg (EPA, 1998)[1]
Density: 0.913 at 25 °C (77 °F) (EPA, 1998) - Less dense than water[1]
Solubility in water: Sparingly soluble in water (1:50)[2]
log P: log Kow = 1.76[2]
pKa: pKa = 10.13 (conjugate acid)[2]
Vapor pressure: 0.24 Torr (mmHg) at 20 °C[2]
Flash point: 27 °C (80 °F, EPA 1998)[1]

Value	As written	Source
–	Colored liquid with an amine odor. Used as a pharmaceutical, a central nervous system stimulant. (EPA, 1998)	[1] CAMEO Chemicalscites U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office.
–shown	Colorless, volatile liquid	[2] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 75

Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.

Calculated

Heavy atoms: 10
Rings: 1
Aromatic rings: 1
Fraction sp³ carbons (Fsp3): 0.33
H-bond donors: 1
H-bond acceptors: 1
Rotatable bonds: 2
TPSA (Å²): 26
Formal charge: 0
XLogP3: 1.8 PubChem
Complexity: 84 PubChem
Stereocenters: 0 defined, 1 undefinedCIP: C2: undefined
Double-bond geometry: None specified
Point group: C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

C79.95%
H9.69%
N10.36%

Isotope pattern

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P: 1.58 Crippen (Wildman and Crippen 1999)
log S (water solubility): -1.98 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 1.84 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 135.21
log P ≤ 5 (Crippen): 1.58
H-bond donors ≤ 5: 1
H-bond acceptors ≤ 10: 1

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Danger

Most widely reported: 41 company reports to ECHA. Source [3].

Flammable
Acute toxicity

H226Flammable liquid and vapor (95.1% of reports)
H300Fatal if swallowed

Precautionary statements: P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P316, P303+P361+P353, P321, P330, P370+P378, P403+P235, P405, P501

View all classifications (2)

[3] European Chemicals Agency (ECHA) · 41 reports · DangerH226, H300
[2] Hazardous Substances Data Bank (HSDB) · DangerH225, H301, H311, H331, H370

First aid

Signs and Symptoms of Amphetamine Exposure: Signs and symptoms of acute amphetamine exposure include the following: Headache, flushing or pallor, dry mouth, metallic taste, loss of appetite, abdominal cramps, nausea, vomiting, diarrhea, difficulty urinating, chills or fever, restlessness, dizziness, tremors, and hyperactive reflexes. Mood and behavioral changes may include irritability, apprehensiveness, talkativeness, and confusion. Convulsions and coma may also occur. Cardiovascular signs include hypertension (high blood pressure) and tachycardia (rapid heart beat).[1]

Storage

Conditions for safe storage, including any incompatibilities: Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Recommended storage temperature -20 °C[2]

Incompatibilities

Incompatible materials: Acids, Oxidizing agents, Alkali metals, Strong oxidizing agents, Strong acids, Acid chlorides, Acid anhydrides, Reducing agents, Strong reducing agents, Phosphorus halides[2]

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

[1]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
[2]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[3]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[4]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[5]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
[6]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
[7]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
[8]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
·Literature on PubChem

Data last updated 2026-10-14.

Similar structures

Tanimoto similarity on Morgan fingerprints (radius 2) with RDKit 2026.09, at least 45%.