2-(2-Methylpropyl)-2-phenylmethoxycarbonylamino-propanedioic acid supplier

Name
{[(benzyloxy)carbonyl]amino}(2-methylpropyl)propanedioic acid
EINECS
CAS No. 5440-28-8
Density 1.29 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₉NO₆
Boiling Point 529 °C at 760 mmHg
Molecular Weight 309.31
Flash Point 273.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Propanedioic acid, 2-(2-methylpropyl)-2-[[(phenylmethoxy)carbonyl]amino]-;{[(Benzyloxy)carbonyl]amino}(2-methylpropyl)propanedioic acid;2-Benzyloxycarbonylamino-2-isobutyl-malonic acid;NSC-20143;
PSA
LogP

2-(2-Methylpropyl)-2-phenylmethoxycarbonylamino-propanedioic acid Specification

The 2-(2-Methylpropyl)-2-phenylmethoxycarbonylamino-propanedioic acid, with the CAS registry number 5440-28-8, is also known as Propanedioic acid, 2-(2-methylpropyl)-2-[[(phenylmethoxy)carbonyl]amino]-. This chemical's molecular formula is C₁₅H₁₉NO₆ and molecular weight is 309.31. What's more, its systematic name is {[(Benzyloxy)carbonyl]amino}(2-methylpropyl)propanedioic acid.

Physical properties of 2-(2-Methylpropyl)-2-phenylmethoxycarbonylamino-propanedioic acid are: (1)ACD/LogP: 3.88; (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: 7; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 82.14 Å²; (11)Index of Refraction: 1.552; (12)Molar Refractivity: 76.65 cm³; (13)Molar Volume: 239.7 cm³; (14)Polarizability: 30.38×10^-24cm³; (15)Surface Tension: 54.3 dyne/cm; (16)Density: 1.29 g/cm³; (17)Flash Point: 273.7 °C; (18)Enthalpy of Vaporization: 84.62 kJ/mol; (19)Boiling Point: 529 °C at 760 mmHg; (20)Vapour Pressure: 5.11E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(C(=O)O)(NC(=O)OCc1ccccc1)CC(C)C
(2)InChI: InChI=1S/C15H19NO6/c1-10(2)8-15(12(17)18,13(19)20)16-14(21)22-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,21)(H,17,18)(H,19,20)
(3)InChIKey: TYMFSJMODYALDQ-UHFFFAOYSA-N

Product Name

{[(benzyloxy)carbonyl]amino}(2-methylpropyl)propanedioic acid

2-(2-Methylpropyl)-2-phenylmethoxycarbonylamino-propanedioic acid Specification

Related Products

Hot Products