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117507-63-8

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Basic Information
CAS No.: 117507-63-8
Name: 2-AMINO-N-FURAN-2-YLMETHYL-BENZAMIDE
Article Data: 20
Molecular Structure:
Molecular Structure of 117507-63-8 (2-AMINO-N-FURAN-2-YLMETHYL-BENZAMIDE)
Formula: C12H12N2O2
Molecular Weight: 216.239
Synonyms: 2-Amino-N-(furan-2-ylmethyl)benzamide;
Density: 1.231 g/cm3
Boiling Point: 444 °C at 760 mmHg
Flash Point: 222.3 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:;
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PSA: 68.26000
LogP: 2.76390
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Specification

The Benzamide, 2-amino-N-(2-furanylmethyl)-, with the CAS registry number of 117507-63-8, is also known as 2-Amino-N-furan-2-ylmethyl-benzamide. This chemical's molecular formula is C12H12N2O2 and molecular weight is 216.24. What's more, its IUPAC name is 2-Amino-N-(furan-2-ylmethyl)benzamide. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzamide, 2-amino-N-(2-furanylmethyl)- are: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.87; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 15.41; (6)ACD/BCF (pH 7.4): 15.42; (7)ACD/KOC (pH 5.5): 246.56; (8)ACD/KOC (pH 7.4): 246.58; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 36.69 Å2; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 60.89 cm3; (15)Molar Volume: 175.5 cm3; (16)Surface Tension: 52.4 dyne/cm; (17)Density: 1.231 g/cm3; (18)Flash Point: 222.3 °C; (19)Enthalpy of Vaporization: 70.17 kJ/mol; (20)Boiling Point: 444 °C at 760 mmHg; (21)Vapour Pressure: 4.45E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NCc1occc1)c2ccccc2N
(2) InChI: InChI=1/C12H12N2O2/c13-11-6-2-1-5-10(11)12(15)14-8-9-4-3-7-16-9/h1-7H,8,13H2,(H,14,15)
(3) InChIKey: RUHBCAVHAVRLGK-UHFFFAOYAN