Benzamide,4-amino-N-(3-aminophenyl)- supplier

Name
4-Amino-N-(3-Aminophenyl)-Benzamide
EINECS 620-465-9
CAS No. 2657-85-4
Article Data3
CAS DataBase
Density 1.314 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₃N₃O
Boiling Point 383.7 °C at 760 mmHg
Molecular Weight 227.2618
Flash Point 185.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzanilide,3',4-diamino- (6CI,7CI,8CI);NSC 15362;3',4-Diamino Benzanilide;
PSA 81.14000
LogP 3.33870

Benzamide,4-amino-N-(3-aminophenyl)- Specification

The Benzamide,4-amino-N-(3-aminophenyl)-, with the CAS registry number 2657-85-4, is also known as 3',4-Diamino Benzanilide. This chemical's molecular formula is C₁₃H₁₃N₃O and molecular weight is 227.2618. What's more, both its IUPAC name and systematic name are the same which is called 4-Amino-N-(3-aminophenyl)benzamide.

Physical properties about Benzamide,4-amino-N-(3-aminophenyl)- are: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.7; (4)ACD/LogD (pH 7.4): 0.72; (5)ACD/BCF (pH 5.5): 1.99; (6)ACD/BCF (pH 7.4): 2.07; (7)ACD/KOC (pH 5.5): 56.34; (8)ACD/KOC (pH 7.4): 58.67; (9)#H bond acceptors: 4; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.79Å²; (13)Index of Refraction: 1.734; (14)Molar Refractivity: 69.3 cm³; (15)Molar Volume: 172.8 cm³; (16)Polarizability: 27.47×10^-24cm³; (17)Surface Tension: 69.1 dyne/cm; (18)Density: 1.314 g/cm³; (19)Flash Point: 185.9 °C; (20)Enthalpy of Vaporization: 63.23 kJ/mol; (21)Boiling Point: 383.7 °C at 760 mmHg; (22)Vapour Pressure: 4.31E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1cccc(c1)N)c2ccc(N)cc2
(2)InChI: InChI=1/C13H13N3O/c14-10-6-4-9(5-7-10)13(17)16-12-3-1-2-11(15)8-12/h1-8H,14-15H2,(H,16,17)
(3)InChIKey: HWKHQQCBFMYAJZ-UHFFFAOYAD

Product Name

4-Amino-N-(3-Aminophenyl)-Benzamide

Benzamide,4-amino-N-(3-aminophenyl)- Specification

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