b-Alanine-2,2,3,3-d4 supplier | CasNO.116173-67-2

Name
b-Alanine-2,2,3,3-d4
EINECS
CAS No. 116173-67-2
Article Data1
CAS DataBase
Density 1.22 g/cm³
Solubility
Melting Point 198.5-199 °C (decomp)
Formula C₃H₃D₄NO₂
Boiling Point 237.134 °C at 760 mmHg
Molecular Weight 93.117827112
Flash Point 97.215 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms β-(2,2,3,3-2H4)Alanine;β-alanine-2,2,3,3-d4;
PSA 63.32000
LogP 0.12010

b-Alanine-2,2,3,3-d4 Specification

This chemical is called b-Alanine-2,2,3,3-d4, and it can also be named as β-alanine-2,2,3,3-d4. With the molecular formula of C₃H₃D₄NO₂, its molecular weight is 93.117827112. The CAS registry number of this chemical is 116173-67-2, and its systematic name is β-(2,2,3,3-2H4)alanine.

Other characteristics of the b-Alanine-2,2,3,3-d4 can be summarised as follows: (1)ACD/LogP: -0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 63.32 Å²; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 21.047 cm³; (15)Molar Volume: 76.359 cm³; (16)Polarizability: 8.344×10^-24cm³; (17)Surface Tension: 49.303 dyne/cm; (18)Density: 1.22 g/cm³; (19)Flash Point: 97.215 °C; (20)Enthalpy of Vaporization: 52.202 kJ/mol; (21)Boiling Point: 237.134 °C at 760 mmHg; (22)Vapour Pressure: 0.016 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: [2H]C([2H])(N)C([2H])([2H])C(=O)O
2.InChI: InChI=1/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i1D2,2D2
3.InChIKey: UCMIRNVEIXFBKS-LNLMKGTHEQ

Product Name

b-Alanine-2,2,3,3-d4

b-Alanine-2,2,3,3-d4 Specification

Related Products

Hot Products