4-Phenylmethoxycarbonylaminobenzoic acid supplier

Name
Benzoic acid, 4-[[(phenylmethoxy)carbonyl]amino]- (9CI)
EINECS
CAS No. 5330-71-2
Article Data12
CAS DataBase
Density 1.342g/cm³
Solubility
Melting Point 217 °C (decomp)
Formula C₁₅H₁₃NO₄
Boiling Point 425.1 °C at 760 mmHg
Molecular Weight 271.273
Flash Point 210.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoic acid, 4-[[(phenylmethoxy)carbonyl]amino]- (9CI);
PSA 75.63000
LogP 3.20650

4-Phenylmethoxycarbonylaminobenzoic acid Specification

The 4-Phenylmethoxycarbonylaminobenzoic acid, with the CAS registry number 5330-71-2, is also known as Benzoic acid, 4-[[(phenylmethoxy)carbonyl]amino]- (9CI). It belongs to the product category of N-CBZ. This chemical's molecular formula is C₁₅H₁₃NO₄ and molecular weight is 271.268.

Physical properties about 4-Phenylmethoxycarbonylaminobenzoic acid are: (1)ACD/LogP: 3.08; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.81; (4)ACD/LogD (pH 7.4): 0.23; (5)ACD/BCF (pH 5.5): 6.91; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 60.33; (8)ACD/KOC (pH 7.4): 1.59; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 73.68 cm³; (15)Molar Volume: 202.1 cm³; (16)Surface Tension: 61 dyne/cm; (17)Density: 1.342 g/cm³; (18)Flash Point: 210.9 °C; (19)Enthalpy of Vaporization: 71.66 kJ/mol; (20)Boiling Point: 425.1 °C at 760 mmHg; (21)Vapour Pressure: 5.5E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCc1ccccc1)Nc2ccc(cc2)C(=O)O
(2) InChI: InChI=1/C15H13NO4/c17-14(18)12-6-8-13(9-7-12)16-15(19)20-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,19)(H,17,18)
(3) InChIKey: XRKLFEVNZWRMCT-UHFFFAOYAG

Product Name

Benzoic acid, 4-[[(phenylmethoxy)carbonyl]amino]- (9CI)

4-Phenylmethoxycarbonylaminobenzoic acid Specification

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