L-N-Cbz-3-N-Boc-Amino-alanine supplier

Name
L-N-Cbz-3-N-Boc-Amino-alanine
EINECS 1533716-785-6
CAS No. 16947-84-5
Article Data18
CAS DataBase
Density 1.235 g/cm³
Solubility
Melting Point
Formula C₁₆H₂₂N₂O₆
Boiling Point 548.7 °C at 760 mmHg
Molecular Weight 338.36
Flash Point 285.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Propionicacid, 2,3-bis(carboxyamino)-, 2-benzyl 3-tert-butyl ester, L- (8CI);(S)-2-[(Benzyloxycarbonyl)amino]-3-[(tert-butoxycarbonyl)amino]propionicacid;
PSA 113.96000
LogP 2.67250

L-N-Cbz-3-N-Boc-Amino-alanine Specification

The L-Alanine,3-[[(1,1-dimethylethoxy)carbonyl]amino]-N-[(phenylmethoxy)carbonyl]-, with the CAS registry number 16947-84-5, is also known as (2S)-3-[(2-Methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid. This chemical's molecular formula is C₁₆H₂₂N₂O₆ and molecular weight is 338.36. What's more, its systematic name is called N-[(Benzyloxy)carbonyl]-3-[(tert-butoxycarbonyl)amino]-L-alanine.

Physical properties about L-Alanine,3-[[(1,1-dimethylethoxy)carbonyl]amino]-N-[(phenylmethoxy)carbonyl]- are: (1) ACD/LogP: 3.24; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.82; (4) ACD/LogD (pH 7.4): -0.41; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 5.22; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 8; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 9; (12) Polar Surface Area: 85.38 Å²; (13) Index of Refraction: 1.533; (14) Molar Refractivity: 85.09 cm³; (15) Molar Volume: 273.9 cm³; (16) Surface Tension: 48.1 dyne/cm; (17) Density: 1.235 g/cm³; (18) Flash Point: 285.6 °C; (19) Enthalpy of Vaporization: 87.17 kJ/mol; (20) Boiling Point: 548.7 °C at 760 mmHg; (21) Vapour Pressure: 7.12E-13 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)NC[C@@H](C(=O)O)NC(=O)OCc1ccccc1
(2) InChI: InChI=1/C16H22N2O6/c1-16(2,3)24-14(21)17-9-12(13(19)20)18-15(22)23-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)/t12-/m0/s1
(3) InChIKey: WJKGPJRAGHSOLM-LBPRGKRZBG

Product Name

L-N-Cbz-3-N-Boc-Amino-alanine

L-N-Cbz-3-N-Boc-Amino-alanine Specification

Related Products

Hot Products