N-(4-aminobutyl)-N-(1H-1,3-benzodiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine hydrochloride

N-(4-aminobutyl)-N-(1H-1,3-benzodiazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine hydrochloride

CAS: 880549-30-4

Formula: C21H28ClN5

SMILES: Cl.NCCCCN(CC1=NC2=CC=CC=C2N1)C1CCCC2=C1N=CC=C2

IUPAC: N-(4-aminobutyl)-N-[(1H-1,3-benzodiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine hydrochloride

InChI: InChI=1/C21H27N5.ClH/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19;/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25);1H

Composition: C (65.35%), H (7.31%), Cl (9.19%), N (18.15%)

Molar Mass: 385.94

Atom Count: 55

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	385.2033236
Formal Charge	0
FSP3	0.43
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	DBNMEMJSDAAGNZ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.49
Topological Polar Surface Area	70.83
Polarizability	42.22
Ring Count	4
Rotatable Bond Count	7

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Molnova Chemicals

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	880549-30-4		$48.16-$494.57$48.16$72.62$110.07$219.38$329.46$494.57