Putrescine

Athanor · official

C₄H₁₂N₂ · 88.15 g/mol

IUPAC name: butane-1,4-diamine

Also called butane-1,4-diamine, tetramethylenediamine, decay amine

Reagents Metabolites

Open in Athanor

Drawn from its SMILES with RDKit

DangerFlammable liquid and vapor · May be corrosive to metals · Harmful if swallowed or in contact with skin · Harmful if swallowed · Toxic in contact with skin · Harmful in contact with skin · Causes severe skin burns and eye damage · Causes serious eye damage · Fatal if inhaled · Harmful to aquatic life with long lasting effects

Names and identifiers

IUPAC name: butane-1,4-diamine
Synonyms: butane-1,4-diamine, tetramethylenediamine, decay amine
+ 36 more
1,4-diaminobutane, 1,4-butanediamine, Butylenediamine, Putrescin, 1,4-Butylenediamine, Tetramethyldiamine, 1,4-Tetramethylenediamine, NSC-60545, V10TVZ52E4, DTXSID4041107, CHEBI:17148, 1,4 Butanediamine, 1,4 Diaminobutane, RefChem:177345, DTXCID2021107, 203-782-3, but-2-ynedinitrile, putrescina, Putreszin, Tetramethylendiamin, MFCD00008235, NSC 60545, BRN 0605282, H2N(CH2)4NH2, Putrescine, free base, AI3-25444, 1,4-Diamino-n-butane, Putrescine; NSC 60545; Putramine, CHEMBL46257, BUTANE, 1,4-DIAMINO-, Diaminobutane dihydrochloride, PUT, CCRIS 6751, EINECS 203-782-3, UNII-V10TVZ52E4, butylene amine
Molecular formula: C₄H₁₂N₂
Empirical formula: C₂H₆N
Molecular weight: 88.15 g/mol
Exact mass: 88.10005
CAS number: 110-60-1
PubChem CID: 1045
Canonical SMILES: C(CCN)CN
Isomeric SMILES: C(CCN)CN
InChI: InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2
InChIKey: KIDHWZJUCRJVML-UHFFFAOYSA-N
Molfile

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

Physical properties

TemperaturePressureDensity

Appearance: Colorless crystals[2]
2 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– CBI [1] EPA Chemical Data Reporting (CDR)
–shown Colorless crystals [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. 1226
Melting point: 27.5 °C[2]
Solubility in water: Soluble in water with strongly basic reaction[2]
log P: log Kow = -3.42[2]
pKa: pKa = 10.80 (conjugate acid)[2]

Value	As written	Source
–	CBI	[1] EPA Chemical Data Reporting (CDR)
–shown	Colorless crystals	[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. 1226

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: 6
Rings: 0
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 1
H-bond donors: 2
H-bond acceptors: 2
Rotatable bonds: 3
TPSA (Å²): 52
Formal charge: 0
XLogP3: -0.9 PubChem
Complexity: 17 PubChem
Stereocenters: None
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

C54.50%
H13.72%
N31.78%

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: -0.32 Crippen (Wildman and Crippen 1999)
log S (water solubility): 0.01 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 2.01 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 88.15
log P ≤ 5 (Crippen): -0.32
H-bond donors ≤ 5: 2
H-bond acceptors ≤ 10: 2

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: 247 company reports to ECHA. Source [3].

Flammable
Corrosive
Acute toxicity
Harmful or irritant

NFPA 704[2]

H226Flammable liquid and vapor (29.1% of reports)
H290May be corrosive to metals (12.1% of reports)
H302+H312Harmful if swallowed or in contact with skin (15.8% of reports)
H302Harmful if swallowed (89.5% of reports)
H311Toxic in contact with skin (68% of reports)
H312Harmful in contact with skin (21.5% of reports)
H314Causes severe skin burns and eye damage (88.7% of reports)
H318Causes serious eye damage (68% of reports)
H330Fatal if inhaled (83.4% of reports)
H412Harmful to aquatic life with long lasting effects (42.9% of reports)

Precautionary statements: P210, P233, P234, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P361+P364, P362+P364, P363, P370+P378, P390, P403+P233, P403+P235, P405, P406, P501

View all classifications (2)

[3] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 8.9% (22 of 247) of reports.
[3] European Chemicals Agency (ECHA) · 247 reports · DangerH226, H290, H302+H312, H302, H311, H312, H314, H318, H330, H412

Storage

Hygroscopic. Keep tightly closed. /1,4-Diaminobutane dihydrochloride 97%/[2]

Safety data sheets on the supplier’s page: Biorbyt, Enamine, LGC Standards.

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]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · 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]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
[5]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
[6]SpectraBase · 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
[9]NIST Mass Spectrometry Data Center · Linked only · 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.