Basic information
- Standard SMILES
COC(=O)c1ccc(C(C)N)cc1- InChIKey
XSYGLHLLQZGWPT-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(1-aminoethyl)benzoate
- IUPAC
- methyl 4-(1-aminoethyl)benzoate
Names & synonyms
methyl 4-(1-aminoethyl)benzoate80051-07-64-(1-Amino-ethyl)-benzoic acid methyl esterMFCD11505984Benzoic acid, 4-(1-aminoethyl)-, methyl esterSCHEMBL942575methyl4-(1-aminoethyl)benzoateXSYGLHLLQZGWPT-UHFFFAOYSA-NCS-M0171AKOS006325673DS-9057SB35550
Show more names
SB38820SB39842SY105425DB-351975EN300-342129(S)-4-(1-Aminoethyl)-benzoic acid methyl ester4-[(1R)-1-Aminoethyl]-benzoic acid methyl esterF386343
Database identifiers
- PubChem CID
- 20134240
- Nikkaji
- J3.456.832D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Related reactions
57 records
Compound notes
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