3-Aminomethylbenzoic acid
Properties
- Molecular formula
- C8H9NO2
- Molar mass
- 151.16 g/mol
- Exact mass
- 151.0633 Da
- logP
- 0.84Crippen estimate
- Polar surface area
- 63.3 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation66.7% of notifiers
- H318 Causes serious eye damage33.3% of notifiers
- H319 Causes serious eye irritation66.7% of notifiers
- H335 May cause respiratory irritation66.7% of notifiers
- H412 Harmful to aquatic life with long lasting effects33.3% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
2393-20-6SMILES
C1=CC(=CC(=C1)C(=O)O)CNInChIKey
GSWYUZQBLVUEPH-UHFFFAOYSA-NInChI
InChI=1S/C8H9NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5,9H2,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 3-(Aminomethyl)benzoic acid
Work with 3-Aminomethylbenzoic acid
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
3-(Hydroxymethyl)-benzoic acid28286-79-567 % similar
3-(Chloromethyl)benzoic acid31719-77-465 % similar
3-(Bromomethyl)benzoic acid6515-58-865 % similar
4-(Aminomethyl)benzoic acid56-91-763 % similar
Isophthalic acid121-91-562 % similar
3-Aminobenzoic acid99-05-856 % similar
3-Fluorobenzoic acid455-38-953 % similar
3-Chlorobenzoic acid535-80-853 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.