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

(8S)-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)[C@H]1CCCC2=C1N=CC=C2

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

InChI: InChI=1S/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/t19-;/m0./s1

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-FYZYNONXSA-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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Purity LeadTime CAS PacketSize UnitPrice
99% <6 Days 880549-30-4 $132.25-$769.35$132.25$173.65$235.75$267.95$453.10$769.35
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