Methyl 4-(aminomethyl)benzoate
Properties
- Molecular formula
- C9H11NO2
- Molar mass
- 165.19 g/mol
- Exact mass
- 165.0790 Da
- logP
- 0.93Crippen estimate
- Polar surface area
- 52.3 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed50% of notifiers
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
18469-52-8SMILES
COC(=O)C1=CC=C(C=C1)CNInChIKey
AQBJGAUQEJFPKZ-UHFFFAOYSA-NInChI
InChI=1S/C9H11NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6,10H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with Methyl 4-(aminomethyl)benzoate
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Dimethyl terephthalate120-61-667 % similar
Methyl 4-(bromomethyl)benzoate2417-72-364 % similar
Methyl 4-(chloromethyl)benzoate34040-64-764 % similar
Methyl 4-(hydroxymethyl)benzoate6908-41-464 % similar
Methyl 4-(2-bromoethyl)benzoate136333-97-662 % similar
4-Methoxycarbonylmethyl-benzoic acid methyl ester52787-14-162 % similar
Methyl 3-(aminomethyl)benzoate hydrochloride17841-68-861 % similar
4,4′-Dimethyl [1,1′-biphenyl]-4,4′-dicarboxylate792-74-560 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds