DL-2-Aminobutyric-2,3,3,4,4,4-d6 Acid
Basic information
- CAS
350820-17-6- Standard SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])(N)C(=O)O- InChIKey
QWCKQJZIFLGMSD-LIDOUZCJSA-N- Molecular formula
- C4H9NO2
- Average molar mass
- 109.16 g/mol
Names & identifiers
- Preferred name
- DL-2-Aminobutyric-2,3,3,4,4,4-d6 Acid
- IUPAC
- 2-amino-2,3,3,4,4,4-hexadeuteriobutanoic acid
- English name
- DL-2-Aminobutyric-d6 acid
- Molecular formula
- C4H3D6NO2
- Molecular weight
- 109.16
Names & synonyms
350820-17-6d6-2-aminobutyric acidDL-2-Aminobutyric-D6 acidH-DL-Abu-OH-d62-Amino-2,3,3,4,4,4-hexadeuteriobutanoic acidDL-2-Aminobutyric-2,3,3,4,4,4-d6 AcidDL-2-Aminobutyric acid-d6SCHEMBL18825499MSK001362D6HY-W010590S1MS-22738CS-0438010
Show more names
4-Aminobutyric-D6 Acid2-Amino(2H6)butanoic acidDL-2-Aminobutyric acid (D?, 98%)DL-2-AMINOBUTYRIC ACID (D6, 98%)DL-2-AMINOBUTYRIC-D6 ACID USP/EP/BPDl-2-Aminobutyric-D6 Acid (Standard)
D995892-amino-2,3,3,4,4,4-hexadeuterio-butanoic acid
Database identifiers
- CAS
350820-17-6
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 72.1
Physicochemical properties
- Boiling point
- 215.166 · 215.166±23.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.106 · 1.106±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- solubility
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- form
- Solid
- pka
- 2.337 · 2.337±0.10(predicted)
- color
- White to Off-White
- CAS Number Unlabeled
- 2835 · 2835-81-6
Chemistry & industry
Applications
UsesDL-2-Aminobutyric-2,3,3,4,4,4-d6 Acid (CAS# 350820-17-6) is a useful isotopically labeled research compound.
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