Basic information
- CAS
69010-59-9- Standard SMILES
NCCC(=O)NCCC(=O)NCCC(=O)O- InChIKey
INWKFTXYTDPZIX-UHFFFAOYSA-N- Molecular formula
- C9H17N3O4
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.12190603
Names & identifiers
- Preferred name
- H-beta-Ala-beta-ala-beta-ala-OH
- IUPAC
- 3-[3-(3-aminopropanoylamino)propanoylamino]propanoic acid
- English name
- H-BETA-ALA-BETA-ALA-BETA-ALA-OH
- Molecular formula
- C9H17N3O4
- Molecular weight
- 231.25
Names & synonyms
69010-59-9beta-alanyl-beta-alanyl-beta-alanineH-BETA-ALA-BETA-ALA-BETA-ALA-OHCarnosine Impurity 4H-beta-Ala-b-Ala-b-Ala-OHSCHEMBL13788601FA108393|A-Ala-|A-Ala-|A-Ala; 3-(3-(3-aminopropanamido)propanamido)propanoic acid606888Carnosine Impurity 25Carnosine Impurity 16H-β-ALA-β-ALA-β-ALA-OH
Show more names
H-b-Ala-b-Ala-b-Ala-OHBETA-ALA-BETA-ALA-BETA-ALAβ-Alanyl-β-alanyl-β-alanineβ-Alanine, β-alanyl-β-alanyl-
Database identifiers
- CAS
69010-59-9- PubChem CID
- 7020006
- EC Number
- 194-779-5
Properties
Computed structural properties
- XLogP
- -5
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Melting point
- 194 · 194-195 °C(Solv: water (7732-18-5))
- Boiling point
- 629.5 · 629.5±50.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- storage temp.
- -15 °C · -15°C
- pka
- 4.33 · 4.33±0.10(Predicted)
Chemistry & industry
Suppliers23 total
北京科迈启医药科技有限公司15910349257 15910349257 · [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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
太原百利恒康生物技术有限公司19135651983 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
南京肽谷生物科技有限公司18115476705 · [email protected]
湖北扬信医药科技有限公司07143299675 13092790750 · [email protected]
成都云希化工有限公司+86-17380623303 · [email protected]
杭州肽佳生物科技有限公司0571-87213919 15967184799 · [email protected]
合肥博美生物科技有限责任公司13739298932 13856598764 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…