N-[(Benzyloxy)carbonyl]-β-alanylglycine supplier

Name
Z-BETA-ALA-GLY-OH
EINECS
CAS No. 58171-88-3
Article Data5
CAS DataBase
Density 1.287 g/cm³
Solubility
Melting Point 148-149oC
Formula C₁₃H₁₆N₂O₅
Boiling Point 597.6 °C at 760 mmHg
Molecular Weight 280.28
Flash Point 315.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Glycine,N-[N-[(phenylmethoxy)carbonyl]-b-alanyl]-;NSC 164069;
PSA 104.73000
LogP 1.28550

N-[(Benzyloxy)carbonyl]-β-alanylglycine Specification

This chemical is called N-[(Benzyloxy)carbonyl]-β-alanylglycine. With the molecular formula of C₁₃H₁₆N₂O₅, its molecular weight is 280.28. The CAS registry number of this chemical is 58171-88-3.

Other characteristics of the N-[(Benzyloxy)carbonyl]-β-alanylglycine can be summarised as followings: (1)ACD/LogP: 0.41; (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: 76.15 Å²; (11)Index of Refraction: 1.551; (12)Molar Refractivity: 69.52 cm³; (13)Molar Volume: 217.6 cm³; (14)Polarizability: 27.56×10^-24cm³; (15)Surface Tension: 54.1 dyne/cm; (16)Density: 1.287 g/cm³; (17)Flash Point: 315.2 °C; (18)Enthalpy of Vaporization: 93.6 kJ/mol; (19)Boiling Point: 597.6 °C at 760 mmHg; (20)Vapour Pressure: 3.95E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)CNC(=O)CCNC(=O)OCc1ccccc1
2.InChI: InChI=1/C13H16N2O5/c16-11(15-8-12(17)18)6-7-14-13(19)20-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,19)(H,15,16)(H,17,18)
3.InChIKey: ILRSNXOKMYEWSE-UHFFFAOYAD

Product Name

Z-BETA-ALA-GLY-OH

N-[(Benzyloxy)carbonyl]-β-alanylglycine Specification

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