2-Propenoic acid,2-[[2-[[(phenylmethoxy)carbonyl]amino]acetyl]amino]- supplier

Name
2-({N-[(benzyloxy)carbonyl]glycyl}amino)prop-2-enoic acid
EINECS
CAS No. 62076-55-5
Density 1.309 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₄N₂O₅
Boiling Point 606.4 °C at 760 mmHg
Molecular Weight 278.265
Flash Point 320.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acrylicacid, 2-[2-(carboxyamino)acetamido]-, N-benzyl ester (6CI,7CI);Alanine,2,3-didehydro-N-[N-[(phenylmethoxy)carbonyl]glycyl]- (9CI);NSC 179193;
PSA
LogP

2-Propenoic acid,2-[[2-[[(phenylmethoxy)carbonyl]amino]acetyl]amino]- Specification

The 2-Propenoic acid, 2-[[2-[[(phenylmethoxy)carbonyl]amino]acetyl]amino]-, with the CAS registry number of 62076-55-5, is also known as NSC 179193. This chemical's molecular formula is C₁₃H₁₄N₂O₅ and molecular weight is 278.2607. What's more, its IUPAC name is 2-[[2-(Phenylmethoxycarbonylamino)acetyl]amino]prop-2-enoic acid.

Physical properties about 2-Propenoic acid, 2-[[2-[[(phenylmethoxy)carbonyl]amino]acetyl]amino]- are: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 76.15 Å²; (7)Index of Refraction: 1.563; (8)Molar Refractivity: 69.09 cm³; (9)Molar Volume: 212.5 cm³; (10)Polarizability: 27.39×10^-24 cm³; (11)Surface Tension: 53.7 dyne/cm; (12)Density: 1.309 g/cm³; (13)Flash Point: 320.5 °C; (14)Enthalpy of Vaporization: 94.77 kJ/mol; (15)Boiling Point: 606.4 °C at 760 mmHg; (16)Vapour Pressure: 1.48E-15 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)\C(=C)NC(=O)CNC(=O)OCc1ccccc1
(2) InChI: InChI=1/C13H14N2O5/c1-9(12(17)18)15-11(16)7-14-13(19)20-8-10-5-3-2-4-6-10/h2-6H,1,7-8H2,(H,14,19)(H,15,16)(H,17,18)
(3) InChIKey: KFKKHVXTAOUUFZ-UHFFFAOYAM

Product Name

2-({N-[(benzyloxy)carbonyl]glycyl}amino)prop-2-enoic acid

2-Propenoic acid,2-[[2-[[(phenylmethoxy)carbonyl]amino]acetyl]amino]- Specification

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