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118499-70-0

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Basic Information
CAS No.: 118499-70-0
Name: 2,3,5,6,7,8-Hexahydro-1H-cyclopenta[b]quinolin-9-amine hydrochloride hydrate (1:1:1)
Molecular Structure:
Molecular Structure of 118499-70-0 (2,3,5,6,7,8-Hexahydro-1H-cyclopenta[b]quinolin-9-amine hydrochloride hydrate (1:1:1))
Formula: C12H16 N2 . Cl H . H2 O
Molecular Weight: 242.75
Synonyms: 1H-Cyclopenta[b]quinolin-9-amine,2,3,5,6,7,8-hexahydro-, monohydrochloride, monohydrate (9CI); Ipidacrinehydrochloride hydrate
Boiling Point: 368°C at 760 mmHg
Flash Point: 204°C
PSA: 48.87000
LogP: 2.69910
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Chemistry

Molecular Structure of Ipidacrine hydrochloride hydrate (CAS NO.118499-70-0):

Systematic Name: 2,3,5,6,7,8-Hexahydro-1H-cyclopenta[b]quinolin-9-amine hydrochloride hydrate
SMILES: Cl.O.n1c3c(c(c2c1CCC2)N)CCCC3
InChI: InChI=1/C12H16N2.ClH.H2O/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12;;/h1-7H2,(H2,13,14);1H;1H2
InChIKey: SBTIBNSPYUUNGA-UHFFFAOYAJ 
Empirical Formula: C12H19ClN2O
Molecular Weight: 242.7451
Nominal Mass: 242
Average Mass: 242.7451
Monoisotopic Mass: 242.118591 
H bond acceptors: 2
H bond donors: 2
Freely Rotating Bonds: 1
Flash Point: 204 °C
Enthalpy of Vaporization: 61.46 kJ/mol
Boiling Point: 368 °C at 760 mmHg
Vapour Pressure: 1.32E-05 mmHg at 25 °C

Specification

 Ipidacrine hydrochloride hydrate (CAS NO.118499-70-0), its Synonyms are 9-Amino-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinoline hydrochloride monohydrate ; 2,3,5,6,7,8-Hexahydro-1H-cyclopenta[b]quinolin-9-amine hydrochloride hydrate (1:1:1) .