Benzamide,2-amino-N-(2-furanylmethyl)- supplier

Name
2-AMINO-N-FURAN-2-YLMETHYL-BENZAMIDE
EINECS
CAS No. 117507-63-8
Article Data20
CAS DataBase
Density 1.231 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₂N₂O₂
Boiling Point 444 °C at 760 mmHg
Molecular Weight 216.239
Flash Point 222.3 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Amino-N-(furan-2-ylmethyl)benzamide;
PSA 68.26000
LogP 2.76390

Benzamide,2-amino-N-(2-furanylmethyl)- 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

Product Name

2-AMINO-N-FURAN-2-YLMETHYL-BENZAMIDE

Benzamide,2-amino-N-(2-furanylmethyl)- Specification

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