-
Name
N-BENZOYLGLYCINE-2,2-D2
- EINECS
- CAS No. 208928-78-3
- Density 1.286 g/cm3
- Solubility
- Melting Point
- Formula C9H10D2N2O3
- Boiling Point 464.125 °C at 760 mmHg
- Molecular Weight 181.159
- Flash Point 234.495 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms N-Benzoyl(2, 2-2H2)glycine;N-Benzoylglycine-2, 2-d2;
- PSA 81.42000
- LogP 0.92860
Glycine-2,2-d2, N-benzoyl- Specification
The Glycine-2, 2-d2, N-benzoyl-, with the CAS registry number 208928-78-3, is also known as N-Benzoylglycine-2, 2-d2. This chemical's molecular formula is C9H10D2N2O3 and molecular weight is 198.22. What's more, its systematic name is N-Benzoyl(2, 2-2H2)glycine.
Physical properties about Glycine-2, 2-d2, N-benzoyl- are: (1)ACD/LogP: 0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 66.4 Å2; (11)Index of Refraction: 1.568; (12)Molar Refractivity: 46.073 cm3; (13)Molar Volume: 140.912 cm3; (14)Polarizability: 18.265×10-24 cm3; (15)Surface Tension: 54.005 dyne/cm; (16)Density: 1.286 g/cm3; (17)Flash Point: 234.495 °C; (18)Enthalpy of Vaporization: 76.438 kJ/mol; (19)Boiling Point: 464.125 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [2H]C([2H])(C(=O)O)NC(=O)c1ccccc1
(2) InChI: InChI=1/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)/i6D2
(3) InChIKey: QIAFMBKCNZACKA-NCYHJHSEEB
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