COC(=O)C1=CC=C(C=C1)CN
CAS: 18469-52-8
Name: methyl 4-(aminomethyl)benzoate
SMILES: COC(=O)C1=CC=C(C=C1)CN

Molecular Processing

Molecular formula
C9H11NO2
Molecular weight
165.19
Exact mass
165.079
XLogP
0.93
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
45.67

Supplementary Information

InChIKey: AQBJGAUQEJFPKZ-UHFFFAOYSA-N
Synonyme
Methyl 4-(aminomethyl)benzoateRefChem:815979870-396-518469-52-8MFCD00468795Methyl 4-aminomethylbenzoatemethyl4-(aminomethyl)benzoateCHEMBL148986(4-methoxycarbonylphenyl)methylazaniumBenzoic acid, 4-(aminomethyl)-, methyl ester4-(aminomethyl)benzoic acid methyl ester78B8G24-Aminomethylbenzoic acid methyl esterEnamine_003267methyl-4-aminomethylbenzoateOprea1_645037SCHEMBL184868methyl 4 (aminomethyl)benzoatemethyl-4-(aminomethyl)benzoateSCHEMBL8870061SCHEMBL8873235methyl 4-(aminomethyl)-benzoateSCHEMBL27296359SCHEMBL27308590Methyl 4-(aminomethyl)benzoate #HMS1403E11CS-B1334BDBM50408793SBB026559
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