2-Hydroxy-4-benzyloxycarbonylamine butanoic acid supplier

Name
2-Hydroxy-4-benzyloxycarbonylamine butanoic acid
EINECS
CAS No. 54755-69-0
Article Data3
CAS DataBase
Density 1.311 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅NO₅
Boiling Point 521.2 °C at 760 mmHg
Molecular Weight 253.25
Flash Point 269 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Butanoic acid, 2-hydroxy-4-[[(phenylmethoxy)carbonyl]amino]-;
PSA 109.85000
LogP 2.26600

2-Hydroxy-4-benzyloxycarbonylamine butanoic acid Specification

The 2-Hydroxy-4-benzyloxycarbonylamine butanoic acid, with the CAS registry number of 54755-69-0, is also known as Butanoic acid, 2-hydroxy-4-[[(phenylmethoxy)carbonyl]amino]-. Its molecular formula is C₁₂H₁₅NO₅ and molecular weight is 253.25. What's more, its systematic name is 4-{[(Benzyloxy)carbonyl]amino}-2-hydroxybutanoic acid.

Physical properties about the 2-Hydroxy-4-benzyloxycarbonylamine butanoic acid are: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 65.07 Å²; (11)Index of Refraction: 1.563; (12)Molar Refractivity: 62.76 cm³; (13)Molar Volume: 193 cm³; (14)Surface Tension: 57.4 dyne/cm; (15)Density: 1.311 g/cm³; (16)Flash Point: 269 °C; (17)Enthalpy of Vaporization: 83.63 kJ/mol; (18)Boiling Point: 521.2 °C at 760 mmHg; (19)Vapour Pressure: 1.08E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(O)CCNC(=O)OCc1ccccc1
(2) InChI: InChI=1/C12H15NO5/c14-10(11(15)16)6-7-13-12(17)18-8-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2,(H,13,17)(H,15,16)
(3) InChIKey: ULKOBRDRCYROKY-UHFFFAOYAF

Product Name

2-Hydroxy-4-benzyloxycarbonylamine butanoic acid

2-Hydroxy-4-benzyloxycarbonylamine butanoic acid Specification

Related Products

Hot Products