CAS No.675882-71-0,Methyl 4-(butyrylamino)-5-methyl-3-aminobenzoate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	675882-71-0
Name:	Methyl 4-(butyrylamino)-5-methyl-3-aminobenzoate
Article Data:	10

Formula:	C₁₃H₁₈N₂O₃
Molecular Weight:	250.298
Synonyms:	Methyl3-amino-4-butanamido-5-methylbenzoate;
EINECS:	614-084-7
Density:	1.181 g/cm³
Boiling Point:	447.456 °C at 760 mmHg
Flash Point:	224.414 °C
PSA:	81.42000
LogP:	2.75660

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Specification

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