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Name |
Benzamide,3-amino-N-(4-aminophenyl)- |
EINECS | 1312995-182-4 |
CAS No. | 2657-93-4 | Density | 1.314 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H13N3O | Boiling Point | 386.9 °C at 760 mmHg |
Molecular Weight | 227.2618 | Flash Point | 187.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzanilide,3,4'-diamino- (6CI,7CI,8CI);3,4'-Diaminobenzanilide;NSC 4992; |
Article Data | 6 |
The CAS registry number of Benzamide,3-amino-N-(4-aminophenyl)- is 2657-93-4. This chemical's molecular formula is C13H13N3O and molecular weight is 227.266. What's more, its systematic name is 3-Amino-N-(4-aminophenyl)benzamide.
Physical properties about Benzamide,3-amino-N-(4-aminophenyl)- are: (1)ACD/LogP: -0.04; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 19.7; (6)ACD/KOC (pH 7.4): 22.73; (7)#H bond acceptors: 4; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 26.79 Å2; (11)Index of Refraction: 1.734; (12)Molar Refractivity: 69.3 cm3; (13)Molar Volume: 172.8 cm3; (14)Polarizability: 27.47×10-24 cm3; (15)Surface Tension: 69.1 dyne/cm; (16)Density: 1.314 g/cm3; (17)Flash Point: 187.8 °C; (18)Enthalpy of Vaporization: 63.59 kJ/mol; (19)Boiling Point: 386.9 °C at 760 mmHg; (20)Vapour Pressure: 3.43E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(cc1)N)c2cccc(N)c2
(2)InChI: InChI=1/C13H13N3O/c14-10-4-6-12(7-5-10)16-13(17)9-2-1-3-11(15)8-9/h1-8H,14-15H2,(H,16,17)
(3)InChIKey: UDKYPBUWOIPGDY-UHFFFAOYAG