Butanoic acid,4-[(3-methoxyphenyl)amino]-4-oxo- supplier

Name
4-(3-METHOXYANILINO)-4-OXOBUTANOIC ACID
EINECS
CAS No. 16141-44-9
Article Data4
CAS DataBase
Density 1.281 g/cm³
Solubility
Melting Point 118 °C
Formula C₁₁H₁₃NO₄
Boiling Point 485.1 °C at 760 mmHg
Molecular Weight 223.229
Flash Point 247.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-[(3-Methoxyphenyl)amino]-4-oxobutanoic acid;3-[(3-Methoxyphenyl)carbamoyl]propanoic acid;4-(3-Methoxyanilino)-4-oxobutanoic acid;3-[N-(3-Methoxyphenyl)carbamoyl]propanoic acid;
PSA 75.63000
LogP 1.57150

Butanoic acid,4-[(3-methoxyphenyl)amino]-4-oxo- Specification

The Butanoic acid,4-[(3-methoxyphenyl)amino]-4-oxo-, with the CAS registry number of 16141-44-9, is also known as 3-[(3-Methoxyphenyl)carbamoyl]propanoic acid. The molecular formula of this chemical is C₁₁H₁₃NO₄ and its molecular weight is 223.22522. What's more, its IUPAC name is 4-(3-Methoxyanilino)-4-oxobutanoic acid.

Physical properties about Butanoic acid,4-[(3-methoxyphenyl)amino]-4-oxo- are: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.02; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.23; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 55.84 Å²; (12)Index of Refraction: 1.58; (13)Molar Refractivity: 58.03 cm³; (14)Molar Volume: 174.1 cm³; (15)Polarizability: 23×10^-24 cm³; (16)Surface Tension: 52.6 dyne/cm; (17)Density: 1.281 g/cm³; (18)Flash Point: 247.2 °C; (19)Enthalpy of Vaporization: 79.06 kJ/mol; (20)Boiling Point: 485.1 °C at 760 mmHg; (21)Vapour Pressure: 3.18E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCC(=O)Nc1cccc(OC)c1
(2) InChI: InChI=1/C11H13NO4/c1-16-9-4-2-3-8(7-9)12-10(13)5-6-11(14)15/h2-4,7H,5-6H2,1H3,(H,12,13)(H,14,15)
(3) InChIKey: DLSAAWQLSTXCNZ-UHFFFAOYAI

Product Name

4-(3-METHOXYANILINO)-4-OXOBUTANOIC ACID

Butanoic acid,4-[(3-methoxyphenyl)amino]-4-oxo- Specification

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