Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzoic acid, 3-amino-4-(methylamino)-, methyl ester |
EINECS | N/A |
CAS No. | 66315-16-0 | Density | 1.209 g/cm3 |
PSA | 64.35000 | LogP | 1.75130 |
Solubility | N/A | Melting Point |
103-105 °C |
Formula | C9H12N2O2 | Boiling Point | 346.492 °C at 760 mmHg |
Molecular Weight | 180.206 | Flash Point | 163.353 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 36/37 | Risk Codes | 43 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Methyl 3-amino-4-(methylamino)benzenecarboxylate; |
Article Data | 22 |
The Benzoic acid, 3-amino-4-(methylamino)-, methyl ester has the CAS registry number 66315-16-0. This chemical's molecular formula is C9H12N2O2 and molecular weight is 180.21. What's more, its systematic name is methyl 3-amino-1H-indole-2-carboxylate.
Physical properties of Benzoic acid, 3-amino-4-(methylamino)-, methyl ester are: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 100; (8)ACD/KOC (pH 7.4): 123; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 64.35 Å2; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 51.872 cm3; (15)Molar Volume: 149.063 cm3; (16)Polarizability: 20.564×10-24cm3; (17)Surface Tension: 50.236 dyne/cm; (18)Density: 1.209 g/cm3; (19)Flash Point: 163.353 °C; (20)Enthalpy of Vaporization: 59.067 kJ/mol; (21)Boiling Point: 346.492 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cc(ccc1NC)C(=O)OC
(2)InChI: InChI=1S/C9H12N2O2/c1-11-8-4-3-6(5-7(8)10)9(12)13-2/h3-5,11H,10H2,1-2H3
(3)InChIKey: UOQRESVEXATCGD-UHFFFAOYSA-N