Histidine-α,β,β-d<sub>3</sub> (9CI) supplier

Name
DL-HISTIDINE-ALPHA,BETA,BETA-D3
EINECS
CAS No. 344299-50-9
Density 1.451g/cm³
Solubility
Melting Point
Formula C₆H₆D₃N₃O₂
Boiling Point 458.872 °C at 760 mmHg
Molecular Weight 158.133
Flash Point 231.318 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms DL-HISTIDINE-ALPHA,BETA,BETA-D3;DL-Histidine-a,,-d3
PSA 92.00000
LogP 0.06440

Histidine-α,β,β-d₃ (9CI) Specification

The Histidine-α,β,β-d₃ (9CI), with CAS registry number 344299-50-9, has the systematic name of (α,β,β-2H₃)Histidine. Besides this, it is also called Dl-histidine-alpha,beta,beta-d₃. And the chemical formula of this chemical is C₆H₆D₃N₃O₂.

Physical properties of Histidine-α,β,β-d₃ (9CI): (1)# of Rule of 5 Violations: 0; (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: 4; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 92 Å²; (10)Index of Refraction: 1.615; (11)Molar Refractivity: 38.018 cm³; (12)Molar Volume: 108.983 cm³; (13)Polarizability: 15.071×10^-24cm³; (14)Surface Tension: 79.69 dyne/cm; (15)Density: 1.451 g/cm³; (16)Flash Point: 231.318 °C; (17)Enthalpy of Vaporization: 75.788 kJ/mol; (18)Boiling Point: 458.872 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C([2H])(c1c[nH]cn1)C([2H])(C(=O)O)N
(2)InChI: InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/i1D2,5D
(3)InChIKey: HNDVDQJCIGZPNO-WSWICNJZEF
(4)Std. InChI: InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/i1D2,5D
(5)Std. InChIKey: HNDVDQJCIGZPNO-WSWICNJZSA-N

Product Name

DL-HISTIDINE-ALPHA,BETA,BETA-D3

Histidine-α,β,β-d₃ (9CI) Specification

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DL-HISTIDINE-ALPHA,BETA,BETA-D3

Histidine-α,β,β-d3 (9CI) Specification

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Histidine-α,β,β-d₃ (9CI) Specification