CAS 63361-56-8 N-Nicotinylbenzylamine (HCID 293794)

Substructure search Find similar structures

Basic information

CAS: 63361-56-8
Standard SMILES: c1ccc(CNCc2cccnc2)cc1
InChIKey: COHYOBKZKMKMIX-UHFFFAOYSA-N
Molecular formula: C13H14N2
Average molar mass: 198.26 g/mol
Monoisotopic mass: 198.11569846

Names & identifiers

Preferred name: N-Nicotinylbenzylamine
IUPAC: 1-phenyl-N-(pyridin-3-ylmethyl)methanamine
English name: 1-PHENYL-N-(PYRIDIN-3-YLMETHYL)METHYLAMINE
Molecular formula: C13H14N2
Molecular weight: 198.26

Names & synonyms

63361-56-8N-NicotinylbenzylamineDTXSID70303757RefChem:1091966DTXCID00254889Benzyl-pyridin-3-ylmethyl-amineN-Benzyl-1-(pyridin-3-yl)methanamine1-phenyl-N-(pyridin-3-ylmethyl)methanamineN-Benzyl-3-pyridinemethylamineBenzylpyridin-3-ylmethylaminebenzyl(pyridin-3-ylmethyl)amine1-PHENYL-N-(PYRIDIN-3-YLMETHYL)METHYLAMINE

Show more names

3-Pyridinemethanamine, N-(phenylmethyl)-Benzyl-pyridin-3-ylMethyl-aMinehydrochloride1-PHENYL-N-(PYRIDIN-3-YLMETHYL)METHYLAMINE ISO 9001：2015 REACH

1-phenyl-N-(3-pyridylmethyl)methanamineMFCD00716866benzyl(3-pyridylmethyl)amineNSC160933benzyl-(3-pyridylmethyl)amineSCHEMBL1041978SCHEMBL1042402SCHEMBL1044020

Database identifiers

CAS: 63361-56-8
PubChem CID: 293794
DTXSID: DTXSID70303757
EC Number: 676-805-1
Nikkaji: J2.179.828B

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 24.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 164

Physicochemical properties

CAS DataBase Reference: 63361 · 63361-56-8
Symbol(GHS): 7 · GHS07
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.