N-Cbz-beta-alanine tert-butyl ester supplier

Name
N-[(Phenylmethoxy)carbonyl]-beta-alanine tert-butyl ester
EINECS 1533716-785-6
CAS No. 18605-26-0
Article Data10
CAS DataBase
Density 1.101 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₁NO₄
Boiling Point 409.3 °C at 760 mmHg
Molecular Weight 279.336
Flash Point 201.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms b-Alanine, N-carboxy-, N-benzyltert-butyl ester (8CI);
PSA 68.12000
LogP 2.84900

N-Cbz-beta-alanine tert-butyl ester Specification

The N-Cbz-beta-alanine tert-butyl ester with its cas register number is 18605-26-0. It also can be called as N-[(Phenylmethoxy)carbonyl]-beta-alanine tert-butyl ester and the Systematic name about this chemical is tert-butyl N-[(benzyloxy)carbonyl]-beta-alaninate.

Physical properties about N-Cbz-beta-alanine tert-butyl ester are: (1)ACD/LogP: 3.23; (2)ACD/LogD (pH 5.5): 3.23; (3)ACD/LogD (pH 7.4): 3.23; (4)ACD/BCF (pH 5.5): 166.52; (5)ACD/BCF (pH 7.4): 166.51; (6)ACD/KOC (pH 5.5): 1354.34; (7)ACD/KOC (pH 7.4): 1354.31; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 55.84Å²; (12)Index of Refraction: 1.505; (13)Molar Refractivity: 75.34 cm³; (14)Molar Volume: 253.6 cm³; (15)Polarizability: 29.86x10^-24cm³; (16)Surface Tension: 39.2 dyne/cm; (17)Enthalpy of Vaporization: 66.15 kJ/mol; (18)Vapour Pressure: 6.54E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)CCNC(=O)OCc1ccccc1
(2)InChI: InChI=1/C15H21NO4/c1-15(2,3)20-13(17)9-10-16-14(18)19-11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,16,18)
(3)InChIKey: RLEOEDXSMUQCMZ-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C15H21NO4/c1-15(2,3)20-13(17)9-10-16-14(18)19-11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,16,18)
(5)Std. InChIKey: RLEOEDXSMUQCMZ-UHFFFAOYSA-N

Product Name

N-[(Phenylmethoxy)carbonyl]-beta-alanine tert-butyl ester

N-Cbz-beta-alanine tert-butyl ester Specification

Related Products

Hot Products