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175530-52-6

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Basic Information
CAS No.: 175530-52-6
Name: 1H-Benzimidazole-2-methanamine,5-methoxy-(9CI)
Molecular Structure:
Molecular Structure of 175530-52-6 (1H-Benzimidazole-2-methanamine,5-methoxy-(9CI))
Formula: C9H11N3O
Molecular Weight: 177.21
Synonyms: (6-Methoxy-1H-benzimidazol-2-yl)methanamine;1-(6-Methoxy-1H-benzimidazol-2-yl)methanamine;
Density: 1.274 g/cm3
Boiling Point: 417 °C at 760 mmHg
Flash Point: 206 °C
PSA: 63.93000
LogP: 1.73050
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Specification

The 1H-Benzimidazole-2-methanamine,5-methoxy-(9CI), with the CAS registry number 175530-52-6, is also known as 1-(6-Methoxy-1H-benzimidazol-2-yl)methanamine. It belongs to the product category of Benzimidazole. This chemical's molecular formula is C9H11N3O and molecular weight is 177.21. What's more, its systematic name is (6-methoxy-1H-benzimidazol-2-yl)methanamine.

Physical properties of 1H-Benzimidazole-2-methanamine,5-methoxy-(9CI) are: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.21; (4)#H bond acceptors: 4; (5)#H bond donors: 3; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 63.93 Å2; (8)Index of Refraction: 1.666; (9)Molar Refractivity: 51.75 cm3; (10)Molar Volume: 139 cm3; (11)Polarizability: 20.51×10-24cm3; (12)Surface Tension: 60.1 dyne/cm; (13)Density: 1.274 g/cm3; (14)Flash Point: 206 °C; (15)Enthalpy of Vaporization: 67.03 kJ/mol; (16)Boiling Point: 417 °C at 760 mmHg; (17)Vapour Pressure: 3.66E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc2nc(CN)nc2cc1
(2)InChI: InChI=1S/C9H11N3O/c1-13-6-2-3-7-8(4-6)12-9(5-10)11-7/h2-4H,5,10H2,1H3,(H,11,12)
(3)InChIKey: FVXQBRISRBHAAL-UHFFFAOYSA-N