Product Name

  • Name

    4-Aminobutyric-2,2-D2 acid

  • EINECS
  • CAS No. 67910-98-9
  • Article Data2
  • CAS DataBase
  • Density 1.132 g/cm3
  • Solubility
  • Melting Point 195 °C (dec.)(lit.)
  • Formula C4H7D2NO2
  • Boiling Point 247.985 °C at 760 mmHg
  • Molecular Weight 105.13
  • Flash Point 103.778 °C
  • Transport Information
  • Appearance
  • Safety 26
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 67910-98-9 (4-Aminobutyric-2,2-D2 acid)
  • Hazard Symbols IrritantXi
  • Synonyms butanoic-2,2-d2 acid, 4-amino-;
  • PSA 63.32000
  • LogP 0.51020

4-Aminobutyric-2,2-D2 acid Specification

The 4-Aminobutyric-2,2-D2 acid with the cas number 67910-98-9 is also called butanoic-2,2-d2 acid, 4-amino-. The systematic name is 4-Amino(2,2-2H2)butanoic acid. Its molecular formula is C4H7D2NO2. The product category is Standards - 13C & 2H for GC-Mass Spectrometry.

The properties of the chemical are: (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: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 63.32Å2; (10)Index of Refraction: 1.465; (11)Molar Refractivity: 25.68 cm3; (12)Molar Volume: 92.866 cm3; (13)Polarizability: 10.18×10-24cm3; (14)Surface Tension: 46.208 dyne/cm; (15)Enthalpy of Vaporization: 53.425 kJ/mol; (16)Vapour Pressure: 0.008 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C([2H])(CCN)C(=O)O
(2)InChI: InChI=1/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)/i2D2
(3)InChIKey: BTCSSZJGUNDROE-CBTSVUPCEE

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