[4-(Aminomethyl)phenyl]methanol

C₈H₁₁NOCAS 39895-56-2137.18 g/mol

Open in Covalent MOL file

Alcohol Primary amine

Properties

Molecular formula: C₈H₁₁NO
Molar mass: 137.18 g/mol
Exact mass: 137.0841 Da
logP: 0.64Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Danger

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled33.3% of notifiers
H302 Harmful if swallowed33.3% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

Identifiers

CAS number

39895-56-2

SMILES

C1=CC(=CC=C1CN)CO

InChIKey

WMOUKOAUAFESMR-UHFFFAOYSA-N

InChI

InChI=1S/C8H11NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,5-6,9H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

(4-Aminomethyl-phenyl)-methanol

Work with [4-(Aminomethyl)phenyl]methanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

P-Xylylenediamine539-48-067 % similar 1,4-Benzenedimethanol589-29-767 % similar 4,4'-Bis(hydroxymethyl)biphenyl1667-12-557 % similar 4-Aminobenzyl alcohol623-04-157 % similar 4-Hydroxybenzylamine696-60-657 % similar 4-Aminobenzylamine4403-71-852 % similar Gastrodigenin623-05-252 % similar Benzylamine100-46-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methoxy-2-methylaniline102-50-1 2-(4-Aminophenyl)ethanol104-10-9 2-Methoxy-N-methyaniline10541-78-3 para-Cresidine120-71-8 N-(2-Hydroxyethyl)aniline122-98-5 4-Amino-alpha-methylbenzenemethanol14572-89-5 P-Phenetidine156-43-4 3-Methoxy-4-methylaniline16452-01-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook