Basic information
- CAS
2140-53-6- Standard SMILES
NCCC(=O)NCCC(=O)O- InChIKey
DWCSTCCKNZMDHA-UHFFFAOYSA-N- Molecular formula
- C6H12N2O3
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.08479224
Names & identifiers
- Preferred name
- 3-(3-Aminopropanoylamino)propanoic acid
- IUPAC
- 3-(3-aminopropanoylamino)propanoic acid
- English name
- H-BETA-ALA-BETA-ALA-OH
- Molecular formula
- C6H12N2O3
- Molecular weight
- 160.17
Names & synonyms
2140-53-6H-BETA-ALA-BETA-ALA-OH3-(3-aminopropanoylamino)propanoic acid3-(3-aminopropanamido)propanoic acidN-Beta-alanyl-beta-alanineN-|A-Alanyl-|A-alanineMFCD00038199beta-Alanine, N-beta-alanyl-Calcium Pantothenate EP Impurity GH-?-Ala-?-Ala-OHCHEMBL153975b-Alanyl-b-alanine
Show more names
beta-Ala-beta-Ala-OHPantothenic acid calcium Impurity 4βAla-βAla-OHβ-Ala-β-Ala-OHH-β-Ala-β-Ala-OHN-β-Alanyl-β-alanineVitamin B5 Impurity 6
H-b-Ala-b-Ala-OHN-(beta-Alanyl)-beta-alaninebeta-Ala-beta-AlaNSC97926betaAla-betaAla-OH.beta.-Ala-.beta.-AlaN-|_-Alanyl-|_-alanineSCHEMBL2897506
Database identifiers
- CAS
2140-53-6- PubChem CID
- 263465
- DTXSID
DTXSID00294760- ChEMBL
CHEMBL153975- EC Number
- 803-340-5
- Nikkaji
- J441.118H
Properties
Computed structural properties
- XLogP
- -4.2
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Melting point
- 212 °C · 212 °C
- Boiling point
- 448.2 · 448.2±30.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- -15 °C · -15°C
- pka
- 4.28 · 4.28±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesH-β-Ala-β-Ala-OH (cas# 2140-53-6) is used in antiallergy agents as interleukin 4 formation inhibitors, antihistamic agents, and naive cell differentiation inhibitors.
Upstream & downstream products
Upstream raw materials
Suppliers63 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
南京昱盛康生物科技有限公司13327808530 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
上海鸿肽生物科技有限公司15318089928 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
杭州思诺达医药科技有限责任公司0571-87213919 17306812703 · [email protected]
Related reactions
1 records
Compound notes
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