L-Alanine-2-d,N-[(1,1-dimethylethoxy)carbonyl]- (9CI) supplier

Name
L-ALANINE-2-D1-N-T-BOC
EINECS
CAS No. 88181-11-7
Article Data2
CAS DataBase
Density 1.133 g/cm³
Solubility
Melting Point
Formula C₈H₁₄DNO₄
Boiling Point 320.912 °C at 760 mmHg
Molecular Weight 190.203
Flash Point 147.883 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms L-ALANINE-2-D1-N-T-BOC;L-Alanine-d1-N-t-BOC
PSA 75.63000
LogP 1.37510

L-Alanine-2-d,N-[(1,1-dimethylethoxy)carbonyl]- (9CI) Specification

The L-Alanine-2-d,N-[(1,1-dimethylethoxy)carbonyl]- (9CI) is an organic compound with the formula C₈H₁₄DNO₄. With the CAS registry number 88181-11-7, the systematic name of this chemical is N-(tert-butoxycarbonyl)-L-(2-²H)alanine.

Physical properties about L-Alanine-2-d,N-[(1,1-dimethylethoxy)carbonyl]- (9CI) are: (1)ACD/LogP: 0.89; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 75.63 Å²; (10)Index of Refraction: 1.46; (11)Molar Refractivity: 45.97 cm³; (12)Molar Volume: 167.938 cm³; (13)Polarizability: 18.224×10^-24cm³; (14)Surface Tension: 38.158 dyne/cm; (15)Density: 1.133 g/cm³; (16)Flash Point: 147.883 °C; (17)Enthalpy of Vaporization: 61.859 kJ/mol; (18)Boiling Point: 320.912 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@]([2H])(C(=O)O)C
(2)InChI: InChI=1/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m0/s1/i5D
(3)InChIKey: QVHJQCGUWFKTSE-VXNMYXNSFU
(4)Std. InChI: InChI=1S/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m0/s1/i5D
(5)Std. InChIKey: QVHJQCGUWFKTSE-VXNMYXNSSA-N

Product Name

L-ALANINE-2-D1-N-T-BOC

L-Alanine-2-d,N-[(1,1-dimethylethoxy)carbonyl]- (9CI) Specification

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