Basic information
- Standard SMILES
COC(=O)c1ccccc1CN- InChIKey
RBTRYPAYLTVGDV-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- Methyl 2-(aminomethyl)benzoate
- IUPAC
- methyl 2-(aminomethyl)benzoate
Names & synonyms
Methyl 2-(aminomethyl)benzoate61088-45-72-carbomethoxybenzylamineBenzoic acid, 2-(aminomethyl)-, methyl estermethyl 2-aminomethylbenzoateMethyl2-(aminomethyl)benzoateSCHEMBL1128064SCHEMBL6718985SCHEMBL27914881SCHEMBL28003447RBTRYPAYLTVGDV-UHFFFAOYSA-Namino methylbenzoic acid methyl ester
Show more names
MFCD06212623AKOS022807901SB76518VS-0327DA-04435EN300-199343F787268
Database identifiers
- PubChem CID
- 2760944
- Nikkaji
- J1.117.688G
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Related reactions
4 records
Compound notes
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