| Identification | More | [Name]
DL-3-Aminobutyric acid | [CAS]
2835-82-7 | [Synonyms]
3-AMINOBUTANOIC ACID
3-AMINOBUTYLIC ACID
3-AMINOBUTYRIC ACID
AMINOBUTYRIC ACID, 3-
BETA-AMINOBUTYRIC ACID
DL-3-AMINOBUTANOIC ACID
DL-3-AMINOBUTYRIC ACID
DL-3-AMINO-N-BUTYRIC ACID
DL-BETA-AMINOBUTYRIC ACID
DL-BETA-AMINO-N-BUTYRIC ACID
H-DL-ABU(3)-OH
H-DL-ABU(BETA)-OH
H-DL-BETA-ABU-OH
RARECHEM AK HD C012
DL-3-AMINO-N-BUTYRIC ACID (BETA-)
DL-BETA-AMINOBUTYRIC ACID DL-3-AMINOBUTYRIC ACID
DL-α-Aminobutanoicacid
DL-beta-homo-alanine
3-Methyl-b-alanine
DL-BABA | [EINECS(EC#)]
220-617-0 | [Molecular Formula]
C4H9NO2 | [MDL Number]
MFCD00008087 | [Molecular Weight]
103.12 | [MOL File]
2835-82-7.mol |
| Chemical Properties | Back Directory | [Melting point ]
189 °C (dec.)(lit.)
| [alpha ]
[α]D20 0.0±0.1° (c=2, H2O) | [density ]
1.2300 (estimate) | [refractive index ]
1.4650 (estimate) | [solubility ]
soluble | [pka]
pK2: 10.14(0) (25°C) | [Water Solubility ]
soluble | [InChI]
InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7) | [InChIKey]
OQEBBZSWEGYTPG-UHFFFAOYSA-N | [SMILES]
C(N)(C)CC(=O)O | [CAS DataBase Reference]
2835-82-7(CAS DataBase Reference) | [EPA Substance Registry System]
2835-82-7(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S24/25:Avoid contact with skin and eyes .
S22:Do not breathe dust .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [RTECS ]
EK7713333
|
| Hazard Information | Back Directory | [Definition]
ChEBI: 3-aminobutanoic acid is a beta-amino acid that is butyric acid which is substituted by an amino group at position 3. It has a role as a metabolite. It is a beta-amino acid and a monocarboxylic acid. It is functionally related to a butyric acid. It is a conjugate acid of a 3-aminobutyrate. It is a tautomer of a 3-aminobutanoic acid zwitterion. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 23, p. 94, 1958 DOI: 10.1021/jo01095a604 | [Purification Methods]
Crystallise the acid from aqueous EtOH or MeOH/Et2O. Also crystallise it by heating a slightly diluted EtOH solution and adding Me2CO. It gives a purple spot with RF 0.89 on paper chromatography using 80% aqueous phenol (the -amino acid has RF 0.74). [Zilka & Rivlin J Org Chem 23 94 1958, Bruylants Bull Soc Chim Belg 32 259 1923, Beilstein 4 IV 2595.] |
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