Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Methyl 4-(butyrylamino)-5-methyl-3-aminobenzoate |
EINECS | 614-084-7 |
CAS No. | 675882-71-0 | Density | 1.181 g/cm3 |
PSA | 81.42000 | LogP | 2.75660 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H18N2O3 | Boiling Point | 447.456 °C at 760 mmHg |
Molecular Weight | 250.298 | Flash Point | 224.414 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methyl3-amino-4-butanamido-5-methylbenzoate; |
Article Data | 10 |
The Methyl 4-(butyrylamino)-5-methyl-3-aminobenzoate is an organic compound with the formula C13H18N2O3. The IUPAC name of this chemical is methyl 3-amino-4-(butanoylamino)-5-methylbenzoate. With the CAS registry number 675882-71-0, it is also named as benzoic acid, 3-amino-5-methyl-4-[(1-oxobutyl)amino]-, methyl ester.
Physical properties about Methyl 4-(butyrylamino)-5-methyl-3-aminobenzoate are: (1)ACD/LogP: 0.99; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 42; (5)ACD/BCF (pH 7.4): 43; (6)ACD/KOC (pH 5.5): 504; (7)ACD/KOC (pH 7.4): 518; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 81.42 Å2; (12)Index of Refraction: 1.581; (13)Molar Refractivity: 70.625 cm3; (14)Molar Volume: 211.978 cm3; (15)Polarizability: 27.998×10-24cm3; (16)Surface Tension: 48.328 dyne/cm; (17)Density: 1.181 g/cm3; (18)Flash Point: 224.414 °C; (19)Enthalpy of Vaporization: 70.58 kJ/mol; (20)Boiling Point: 447.456 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cc(N)c(NC(=O)CCC)c(c1)C
(2)InChI: InChI=1/C13H18N2O3/c1-4-5-11(16)15-12-8(2)6-9(7-10(12)14)13(17)18-3/h6-7H,4-5,14H2,1-3H3,(H,15,16)
(3)InChIKey: UITANFWKOFOWHF-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C13H18N2O3/c1-4-5-11(16)15-12-8(2)6-9(7-10(12)14)13(17)18-3/h6-7H,4-5,14H2,1-3H3,(H,15,16)
(5)Std. InChIKey: UITANFWKOFOWHF-UHFFFAOYSA-N