3-Amino-4-chlorobenzoic acid tetradecyl ester supplier

Name
3-Amino-4-chlorobenzoic acid tetradecyl ester
EINECS
CAS No. 146408-63-1
Density 1.033 g/cm³
Solubility
Melting Point
Formula C₂₁H₃₄ClNO₂
Boiling Point 470.7 °C at 760 mmHg
Molecular Weight 367.95
Flash Point 238.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Amino-4-chlorobenzoic acid tetradecyl ester;Benzoic acid, 3-amino-4-chloro-, tetradecyl ester;
PSA 52.32000
LogP 7.36130

3-Amino-4-chlorobenzoic acid tetradecyl ester Specification

The CAS register number of 3-Amino-4-chlorobenzoic acid tetradecyl ester is 146408-63-1. It also can be called as Carbamic acid,(4-chlorophenyl)-, tetradecyl ester (9CI) and the systematic name about this chemical is benzoic acid, 3-amino-4-chloro-, tetradecyl ester. The molecular formula about this chemical is C₂₁H₃₄ClNO₂and molecular weight is 367.95.

Physical properties about 3-Amino-4-chlorobenzoic acid tetradecyl ester are: (1)ACD/LogP: 8.86; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.86; (4)ACD/LogD (pH 7.4): 8.86; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1581027.13; (8)ACD/KOC (pH 7.4): 1581176.38; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 52.32Å²; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 107.38 cm³; (15)Molar Volume: 356.1 cm³; (16)Polarizability: 42.57x10^-24cm³; (17)Surface Tension: 39.1 dyne/cm; (18)Enthalpy of Vaporization: 73.33 kJ/mol; (19)Boiling Point: 470.7 °C at 760 mmHg; (20)Vapour Pressure: 4.97E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCCCCCCCCOC(=O)c1ccc(c(c1)N)Cl
(2)InChI: InChI=1/C21H34ClNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25-21(24)18-14-15-19(22)20(23)17-18/h14-15,17H,2-13,16,23H2,1H3
(3)InChIKey: RZSHZORYUXZOST-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C21H34ClNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25-21(24)18-14-15-19(22)20(23)17-18/h14-15,17H,2-13,16,23H2,1H3
(5)Std. InChIKey: RZSHZORYUXZOST-UHFFFAOYSA-N

Product Name

3-Amino-4-chlorobenzoic acid tetradecyl ester

3-Amino-4-chlorobenzoic acid tetradecyl ester Specification

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