4-Aminobutyric-2,2-D2 acid supplier

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
Hazard Symbols Xi
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

Product Name

4-Aminobutyric-2,2-D2 acid

4-Aminobutyric-2,2-D2 acid Specification

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