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436095-49-7

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Basic Information
CAS No.: 436095-49-7
Name: 4-AMINO-N-THIOPHEN-2-YLMETHYL-BENZAMIDE
Molecular Structure:
Molecular Structure of 436095-49-7 (4-AMINO-N-THIOPHEN-2-YLMETHYL-BENZAMIDE)
Formula: C12H12N2OS
Molecular Weight: 232.3
Synonyms: ZINC00873673;
Density: 1.274 g/cm3
Boiling Point: 483.7 °C at 760 mmHg
Flash Point: 246.3 °C
Hazard Symbols: IrritantXi
PSA: 83.36000
LogP: 3.23240
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Specification

The Benzamide,4-amino-N-(2-thienylmethyl)-, with the CAS registry number 436095-49-7, is also known as ZINC00873673. This chemical's molecular formula is C12H12N2OS and molecular weight is 232.067034. Its IUPAC name is called 4-amino-N-(thiophen-2-ylmethyl)benzamide. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of Benzamide,4-amino-N-(2-thienylmethyl)-: (1)ACD/LogP: 1.74; (2)ACD/LogD (pH 5.5): 1.74; (3)ACD/LogD (pH 7.4): 1.74; (4)ACD/BCF (pH 5.5): 12.31; (5)ACD/BCF (pH 7.4): 12.33; (6)ACD/KOC (pH 5.5): 209.9; (7)ACD/KOC (pH 7.4): 210.12; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.656; (12)Molar Refractivity: 66.98 cm3; (13)Molar Volume: 182.2 cm3; (14)Surface Tension: 57.3 dyne/cm; (15)Density: 1.274 g/cm3; (16)Flash Point: 246.3 °C; (17)Enthalpy of Vaporization: 74.89 kJ/mol; (18)Boiling Point: 483.7 °C at 760 mmHg; (19)Vapour Pressure: 1.64E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CSC(=C1)CNC(=O)C2=CC=C(C=C2)N
(2)InChI: InChI=1S/C12H12N2OS/c13-10-5-3-9(4-6-10)12(15)14-8-11-2-1-7-16-11/h1-7H,8,13H2,(H,14,15)
(3)InChIKey: DRESFVGIWUNALR-UHFFFAOYSA-N