methyl N-[2-(aminomethyl)phenyl]carbamate
Basic information
- CAS
229326-28-7- Standard SMILES
COC(=O)Nc1ccccc1CN- InChIKey
NOLJAKKVIDCOHM-UHFFFAOYSA-N- Molecular formula
- C9H12N2O2
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.08987763
Names & identifiers
- Preferred name
- methyl N-[2-(aminomethyl)phenyl]carbamate
- IUPAC
- methyl N-[2-(aminomethyl)phenyl]carbamate
- English name
- Carbamic acid, [2-(aminomethyl)phenyl]-, methyl ester (9CI)
- Molecular formula
- C9H12N2O2
- Molecular weight
- 180.2
Names & synonyms
AKOS013076836methyl N-[2-(aminomethyl)phenyl]carbamateCarbamic acid, [2-(aminomethyl)phenyl]-, methyl ester (9CI)
Database identifiers
- CAS
229326-28-7- PubChem CID
- 15446284
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Boiling point
- 260.4 · 260.4±23.0 °C(Predicted)
- Density
- 1.21 · 1.210±0.06 g/cm3(Predicted)
- pka
- 13.67 · 13.67±0.70(Predicted)
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Compound notes
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