DL-3-tert-Butoxy-N-carboxyalanine, N-benzyl ester supplier

Name
DL-3-TERT-BUTOXY-N-CARBOXYALANINE, N-BENZYL ESTER
EINECS
CAS No. 14464-36-9
Article Data2
CAS DataBase
Density 1.174 g/cm³
Solubility
Melting Point 58-60 °C
Formula C₁₅H₂₁NO₅
Boiling Point 465.322 °C at 760 mmHg
Molecular Weight 295.335
Flash Point 235.219 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-[(Benzyloxy)carbonyl]-O-tert-butylserin;N-[(Benzyloxy)carbonyl]-O-tert-butylserine;serine, O-(1,1-dimethylethyl)-N-[(phenylmethoxy)carbonyl]-;
PSA 84.86000
LogP 2.57200

DL-3-tert-Butoxy-N-carboxyalanine, N-benzyl ester Specification

This chemical is called N-[(Benzyloxy)carbonyl]-O-tert-butylserine, and its CAS registry number is 14464-36-9. With the molecular formula of C₁₅H₂₁NO₅, its molecular weight is 295.33.

Other characteristics of the N-[(Benzyloxy)carbonyl]-O-tert-butylserine can be summarised as followings: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.91; (4)ACD/LogD (pH 7.4): -0.37; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.28; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 65.07 Å²; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 76.83 cm³; (15)Molar Volume: 251.5 cm³; (16)Polarizability: 30.46×10^-24cm³; (17)Surface Tension: 44.3 dyne/cm; (18)Density: 1.174 g/cm³; (19)Flash Point: 235.2 °C; (20)Enthalpy of Vaporization: 76.59 kJ/mol; (21)Boiling Point: 465.3 °C at 760 mmHg; (22)Vapour Pressure: 1.85E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)C(NC(=O)OCc1ccccc1)COC(C)(C)C
2.InChI: InChI=1/C15H21NO5/c1-15(2,3)21-10-12(13(17)18)16-14(19)20-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)
3.InChIKey: TXDGEONUWGOCJG-UHFFFAOYAI

Product Name

DL-3-TERT-BUTOXY-N-CARBOXYALANINE, N-BENZYL ESTER

DL-3-tert-Butoxy-N-carboxyalanine, N-benzyl ester Specification

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