3-Aminobiphenyl-D9 supplier | CasNO.1020718-93-7

Name
3-Aminobiphenyl-D9
EINECS
CAS No. 1020718-93-7
Density 1.136 g/cm³
Solubility
Melting Point
Formula C₁₂H₂D₉N
Boiling Point 341.721 °C at 760 mmHg
Molecular Weight 178.28
Flash Point 176.989 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,3,4,6-Tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)aniline;
PSA 26.02000
LogP 3.51700

3-Aminobiphenyl-D9 Specification

The CAS registry number of 3-Aminobiphenyl-D9 is 1020718-93-7. It belongs to the product categories of Isotope labeled compounds; Mutagenesis research chemicals. This chemical's molecular formula is C₁₂H₂D₉N and molecular weight is 178.28. What's more, its systematic name is 2,3,4,6-Tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)aniline.

Physical properties about 3-Aminobiphenyl-D9 are: (1)ACD/LogP: 2.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.921; (4)ACD/LogD (pH 7.4): 2.949; (5)ACD/BCF (pH 5.5): 96.185; (6)ACD/BCF (pH 7.4): 102.684; (7)ACD/KOC (pH 5.5): 897.312; (8)ACD/KOC (pH 7.4): 957.94; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.02 Å²; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 55.081 cm³; (15)Molar Volume: 156.998 cm³; (16)Polarizability: 21.836×10^-24 cm³; (17)Surface Tension: 44.928 dyne/cm; (18)Density: 1.136 g/cm³; (19)Flash Point: 176.989 °C; (20)Enthalpy of Vaporization: 58.541 kJ/mol; (21)Boiling Point: 341.721 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]c1c(c(c(c(c1[2H])[2H])c2c(c(c(c(c2[2H])N)[2H])[2H])[2H])[2H])[2H]
(2) InChI: InChI=1/C12H11N/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,13H2/i1D,2D,3D,4D,5D,6D,7D,8D,9D
(3) InChIKey: MUNOBADFTHUUFG-LOIXRAQWEL

Product Name

3-Aminobiphenyl-D9

3-Aminobiphenyl-D9 Specification

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