3-[2-(1H-1,3-benzodiazol-2-yl)ethyl]aniline hydrochloride

3-[2-(1H-1,3-benzodiazol-2-yl)ethyl]aniline hydrochloride

CAS: 1049741-29-8

Formula: C15H16ClN3

SMILES: Cl.NC1=CC(CCC2=NC3=CC=CC=C3N2)=CC=C1

IUPAC: 3-[2-(1H-1,3-benzodiazol-2-yl)ethyl]aniline hydrochloride

InChI: InChI=1S/C15H15N3.ClH/c16-12-5-3-4-11(10-12)8-9-15-17-13-6-1-2-7-14(13)18-15;/h1-7,10H,8-9,16H2,(H,17,18);1H

Composition: C (65.81%), H (5.89%), Cl (12.95%), N (15.35%)

Molar Mass: 273.76

Atom Count: 35

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	273.1032752
Formal Charge	0
FSP3	0.13
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	DLRMTDNHYVWZEP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.43
Topological Polar Surface Area	54.7
Polarizability	28.98
Ring Count	3
Rotatable Bond Count	3

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