CAS No.132036-42-1,N-[4,5,6,7-Tetrahydrobenzimidazole-5-yl)carbonyl] pyrrolidine sulfate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	132036-42-1
Name:	N-[4,5,6,7-Tetrahydrobenzimidazole-5-yl)carbonyl] pyrrolidine sulfate

Formula:	C₁₂H₁₇N₃O^.HCl
Molecular Weight:	255.75
Synonyms:	Pyrrolidine,1-[(4,5,6,7-tetrahydro-1H-benzimidazol-5-yl)carbonyl]-, monohydrochloride (9CI);1-Pyrrolidinyl(4,5,6,7-tetrahydro-1H-benzimidazol-6-yl)methanone hydrochloride;
Boiling Point:	526.4 °C at 760 mmHg
Flash Point:	272.1 °C
PSA:	48.99000
LogP:	1.87690

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Specification

The CAS register number of 1-Pyrrolidinyl(4,5,6,7-tetrahydro-1H-benzimidazol-6-yl)methanone hydrochloride is 132036-42-1. It also can be called as 1-[(4,5,6,7-Tetrahydro-1H-benzimidazol-5-yl)carbonyl]pyrrolidine monohydrochloride and the systematic name about this chemical is 5-(pyrrolidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-1H-benzimidazole hydrochloride. The molecular formula about this chemical is C₁₂H₁₇N₃O^.HCl and the molecular weight is 255.75.

Physical properties about 1-Pyrrolidinyl(4,5,6,7-tetrahydro-1H-benzimidazol-6-yl)methanone hydrochloride are: (1)ACD/LogP: 0.61; (2)ACD/LogD (pH 7.4): 0.16; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 18.01; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 48.99Å²; (11)Flash Point: 272.1 °C; (12)Enthalpy of Vaporization: 81.58 kJ/mol; (13)Boiling Point: 526.4 °C at 760 mmHg; (14)Vapour Pressure: 1.96E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(C1CCc2ncnc2C1)N3CCCC3
(2)InChI: InChI=1/C12H17N3O.ClH/c16-12(15-5-1-2-6-15)9-3-4-10-11(7-9)14-8-13-10;/h8-9H,1-7H2,(H,13,14);1H
(3)InChIKey: VIQQUDRWPRGFBZ-UHFFFAOYAV