CAS No.912444-00-9,2-[(2R)-2-Methylpyrrolidin-2-yl]-1H-benimidazole-4- carboxamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	912444-00-9
Name:	2-[(2R)-2-Methylpyrrolidin-2-yl]-1H-benimidazole-4- carboxamide
Article Data:	5

Formula:	C₁₃H₁₆N₄O
Molecular Weight:	244.29
Synonyms:	1H-Benzimidazole-4-carboxamide,2-[(2R)-2-methyl-2-pyrrolidinyl]- (9CI);2-[(2R)-2-Methyl-2-pyrrolidinyl]-1H-benzimidazole-7-carboxamide;ABT 888;2-[(2R)-2-Methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide;
EINECS:	681-636-1
Density:	1.274 g/cm³
Boiling Point:	579.023 °C at 760 mmHg
Flash Point:	303.982 °C
PSA:	84.79000
LogP:	2.47340

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Specification

The 1H-Benzimidazole-7-carboxamide,2-[(2R)-2-methyl-2-pyrrolidinyl]-, with CAS registry number 912444-00-9, has the systematic name of 2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide. What's more, the chemical formula is C₁₃H₁₆N₄O and the molecular weight is 244.29. And it should be stored in a cool and dry place.

Physical properties of 1H-Benzimidazole-7-carboxamide,2-[(2R)-2-methyl-2-pyrrolidinyl]-: (1)ACD/LogP: 1.89; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 3; (6)#H bond acceptors: 5; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 83.8 Å²; (10)Index of Refraction: 1.653; (11)Molar Refractivity: 70.15 cm³; (12)Molar Volume: 191.719 cm³; (13)Polarizability: 27.81 ×10^-24cm³; (14)Surface Tension: 63.925 dyne/cm; (15)Density: 1.274 g/cm³; (16)Flash Point: 303.982 °C; (17)Enthalpy of Vaporization: 86.644 kJ/mol; (18)Boiling Point: 579.023 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@@]1(CCCN1)c2[nH]c3cccc(c3n2)C(=O)N
(2)Std. InChI: InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1
(3)Std. InChIKey: JNAHVYVRKWKWKQ-CYBMUJFWSA-N