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Cbz-protected amine

Athanor · official

C8H9NO2 · 151.16 g/mol

IUPAC name: benzyl carbamate

Also called Cbz, NHCbz, Z group, benzyloxycarbonyl

Protecting groups
Open in Athanor
The structure of Cbz-protected amine
Drawn from its SMILES with RDKit
Harmful or irritantWarningHarmful if swallowed · Causes skin irritation · Causes serious eye irritation · Harmful if inhaled · May cause respiratory irritation · Harmful to aquatic life with long lasting effects

Names and identifiers

IUPAC name
benzyl carbamate
Synonyms
Cbz, NHCbz, Z group
+ 40 more

benzyloxycarbonyl, BENZYL CARBAMATE, Carbamic acid, phenylmethyl ester, Carbamic acid benzyl ester, Benzylcarbamate, CCRIS 5070, AI3-52524, EINECS 210-710-4, NSC 25317, DTXSID00211159, UNII-7890Q001S7, NSC-25317, PHENYLMETHYL CARBAMATE, 7890Q001S7, RefChem:118862, DTXCID50133650, 210-710-4, InChI=1/C8H9NO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10, PUJDIJCNWFYVJX-UHFFFAOYSA-N, Carbamyl Benzyl Ester, MFCD00007965, CbzNH2, (phenylmethyl) carbamate, Carbamic acid, benzyl ester, phenylmethyl aminooate, AKOS000121385, CS-W004984, EN300-15625, benzyloxycarbonylamine, cbz-amine, N-Carbobenzoxyamide, BCP27342, Carbamic Acid Phenylmethyl Ester; Benzyl Aminoformate; Benzyl Carbamate; NSC 25317; O-Benzylcarbamate, P6S, Benzyl carbamate, 99%, SCHEMBL1696, SCHEMBL1697, orb3030520, SCHEMBL2643016, SCHEMBL2643313

Molecular formula
C8H9NO2
Empirical formula
C8H8*NO2
Molecular weight
151.16 g/mol
Exact mass
151.06333
CAS number
621-84-1
PubChem CID
12136
Canonical SMILES
C1=CC=C(C=C1)COC(=O)N
Isomeric SMILES
C1=CC=C(C=C1)COC(=O)N
InChI
InChI=1S/C8H9NO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
InChIKey
PUJDIJCNWFYVJX-UHFFFAOYSA-N
Molfile

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

Calculated

Heavy atoms
11
Rings
1
Aromatic rings
1
Fraction sp³ carbons (Fsp3)
0.12
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2 computed here · PubChem 3
TPSA (Ų)
38.3 computed here · PubChem 52.3
Formal charge
0
XLogP3
1.2 PubChem
Complexity
130 PubChem
Stereocenters
None
Double-bond geometry
None specified

Elemental analysis

  • C63.99%
  • H5.37%
  • *0.00%
  • N9.33%
  • O21.31%

Isotope pattern

100%150.0559.2%151.059152.061

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
1.38 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-1.91 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
2.42 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 150.16
  • log P ≤ 5 (Crippen): 1.38
  • H-bond donors ≤ 5: 1
  • 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

Warning

Most widely reported: 2 company reports to ECHA. Source [1].

  • Harmful or irritant
  • H302Harmful if swallowed (50% of reports)
  • H315Causes skin irritation (50% of reports)
  • H319Causes serious eye irritation (50% of reports)
  • H332Harmful if inhaled (50% of reports)
  • H335May cause respiratory irritation (50% of reports)
  • H412Harmful to aquatic life with long lasting effects (50% of reports)

Precautionary statements: P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Safety data sheets on the supplier’s page: AstaTech, Inc., eMolecules, TargetMol.

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. [1]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
  2. [2]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
  3. [3]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  4. [4]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
  5. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  6. ·Literature on PubChem

Data last updated 2026-10-14.