ChemicalBook--->CAS DataBase List--->144-90-1

144-90-1

144-90-1 Structure

144-90-1 Structure
IdentificationBack Directory
[Name]

DL-3-AMINOISOBUTYRIC ACID
[CAS]

144-90-1
[Synonyms]

Methylalanine
3-aminoisobutyric ac
DL-BETA-AMINOISOBUTYRIC ACID
DL-3-AMinoisobutyric acid 98%
2-(aminomethyl)propanoic acid
2-Methyl-3-aminopropanoic acid
2-Methyl-3-aminopropionic acid
3-amino-2-methylpropanoic acid
3-azanyl-2-methyl-propanoic acid
DL-3-Aminoisobutyric Acid Hydrate>
DL-3-AminoisobutyricacidDL-3-Aminoisobutyricaci
DL-3-AMinoisobutyric acid DL-3-AMinoisobutyric acid
[EINECS(EC#)]

205-644-8
[Molecular Formula]

NH2CH2CH(CH3)COOH
[MDL Number]

MFCD00008145
[MOL File]

144-90-1.mol
[Molecular Weight]

103.12
Chemical PropertiesBack Directory
[Melting point ]

246.72°C (estimate)
[Boiling point ]

223.6±23.0 °C(Predicted)
[density ]

1.2300 (estimate)
[refractive index ]

1.4650 (estimate)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

Methanol (Slightly), Water (Slightly)
[form ]

powder to crystal
[pka]

3.69±0.16(Predicted)
[color ]

White
[BRN ]

1720958
[Major Application]

peptide synthesis
[InChI]

InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
[InChIKey]

QCHPKSFMDHPSNR-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C(C)CN
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[WGK Germany ]

3
[RTECS ]

UA2430000
[HS Code ]

2922.49.4950
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

DL-3-Aminoisobutyric Acid Hydrate is a beta-amino acid used for proteomics research.
[Definition]

ChEBI: 3-aminoisobutyric acid is a beta-amino-acid that is isobutyric acid in which one of the methyl hydrogens is substituted by an amino group. It has a role as a metabolite. It is functionally related to an isobutyric acid. It is a conjugate acid of a 3-aminoisobutyrate. It is a tautomer of a 3-aminoisobutanoic acid zwitterion.
[General Description]

DL-3-Aminoisobutyric acid (for short, 3AIBA), synonymous with α-Methyl-β-alanine, is a β-amino acid occurring naturally in all living organisms. 3AIBA can be formed in humans and animals from the nucleotide thymine and amino acid valine. Since 3AIBA is structurally similar to β-alanine; it can also be called α-methyl-β-alanine having one additional methyl group on α-carbon atom. In their free form, β-alanine and 3AIBA are metabolites in mammals and moieties in several pharmacologically active compounds such as antibiotics, antitumor, and antifungal agents[1].
[reaction suitability]

reaction type: solution phase peptide synthesis
[storage]

4°C, protect from light
[References]

[1] Shashikala Yalagi, Jayashree Tonannavar, Jagdish Tonannavar. “DL-3-Aminoisobutyric acid: vibrational, NBO and AIM analysis of N-H?O bonded-zwitterionic dimer model.” Heliyon 5 6 (2019): e01933.
Spectrum DetailBack Directory
[Spectrum Detail]

DL-3-AMINOISOBUTYRIC ACID(144-90-1)1HNMR
DL-3-AMINOISOBUTYRIC ACID(144-90-1)IR
DL-3-AMINOISOBUTYRIC ACID(144-90-1)Raman
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