1-(Alpha-Aminobenzyl)-2-naphthol

C₁₇H₁₅NOCAS 481-82-3249.31 g/mol

Open in Covalent MOL file

Phenol Primary amine

Properties

Molecular formula: C₁₇H₁₅NO
Molar mass: 249.31 g/mol
Exact mass: 249.1154 Da
logP: 3.59Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H400 Very toxic to aquatic life100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

481-82-3

SMILES

C1=CC=C(C=C1)C(C2=C(C=CC3=CC=CC=C32)O)N

InChIKey

PZMIGEOOGFFCNT-UHFFFAOYSA-N

InChI

InChI=1S/C17H15NO/c18-17(13-7-2-1-3-8-13)16-14-9-5-4-6-12(14)10-11-15(16)19/h1-11,17,19H,18H2

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Names and synonyms

1 names

2-Naphthalenol, 1-(aminophenylmethyl)-

Work with 1-(Alpha-Aminobenzyl)-2-naphthol

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

1-Amino-2-naphthol2834-92-647 % similar (+)-BINOL18531-94-747 % similar (-)-Binol18531-99-247 % similar 1,1′-Bi-2-naphthol602-09-547 % similar 1,2-Dihydroxynaphthalene574-00-546 % similar Benzhydrylamine91-00-945 % similar 1-Amino-2-naphthol hydrochloride1198-27-244 % similar 1,1′-Thiobis(2-naphthol)17096-15-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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