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Name |
2-Hydroxy-4-benzyloxycarbonylamine butanoic acid |
EINECS | N/A |
CAS No. | 54755-69-0 | Density | 1.311 g/cm3 |
PSA | 109.85000 | LogP | 2.26600 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H15NO5 | Boiling Point | 521.2 °C at 760 mmHg |
Molecular Weight | 253.25 | Flash Point | 269 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Butanoic acid, 2-hydroxy-4-[[(phenylmethoxy)carbonyl]amino]-; |
Article Data | 3 |
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