Basic information
- CAS
122672-46-2- Standard SMILES
N[C@H]1CCC[C@H]1C(=O)O- InChIKey
JWYOAMOZLZXDER-UHNVWZDZSA-N- Molecular formula
- C6H11NO2
- Average molar mass
- 129.16 g/mol
- Monoisotopic mass
- 129.07897859
Overview
Cispentacin is an organonitrogen compound and an organooxygen compound. It is functionally related to a beta-amino acid.
Names & identifiers
- Preferred name
- Cispentacin
- IUPAC
- cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid
- English name
- cis-2-Amino-1-cyclopentanecarboxylic acid
- Molecular formula
- C6H11NO2
- Molecular weight
- 129.16
Names & synonyms
Cispentacincis-2-Ac5cRefChem:9187163814-46-8(1r,2s)-2-aminocyclopentanecarboxylic acid122672-46-237910-65-9cis-2-Amino-1-cyclopentanecarboxylic acid(1R,2S)-2-aminocyclopentane-1-carboxylic acid(-)-Cispentacincis-2-Aminocyclopentanecarboxylic acidCyclopentanecarboxylic acid, 2-amino-, (1R,2S)-
Show more names
Cis-2-Amino-1-cyclopentanecarbcis-2-Amino-1-cyclopentanecarboxylicaci(1R,2S)-2-ammonio-1-cyclopentanecarboxylatecis-2-Amino-1-cyclopentanecarboxylic acid, 98+%cis-2-aminocyclopentanecarboxylic acid - [A86628]rel-(1R,2S)-2-Aminocyclopentane-1-carboxylic acidCyclopentanecarboxylicacid, 2-aMino-, (1R,2S)-rel-cis-2-AMino-1-cyclopentanecarboxylic acid, 98+% 500MG
(+/-)-CispentacinCispentacin, (-)-MFCD00882461(-)-(1R,2S)-Cispentacin(1R-cis)-2-Aminocyclopentanecarboxylic acidCispentacin, (+/-)-(1R,2S)-rel-2-Aminocyclopentanecarboxylic acid hydrochloridecis-2-Amino-cyclopentanecarboxylic acid
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Melting point
- 218 · 218-220 °C
- Boiling point
- 239.22 °C · 239.22°C (rough estimate)
- Density
- 1.1426 · 1.1426 (rough estimate)
- refractive index
- 1.43 · 1.4300 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 3.87 · 3.87±0.20(Predicted)
- Appearance
- White to off-white Solid
- FDA UNII
- 9 ZJP849D4I · 9ZJP849D4I
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Safety Statements
- 24 · 24/25
- HS Code
- 29224985 · 29224985
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 29224985
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers31 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
海济医药科技（苏州）有限公司18012778619 · [email protected]
泰州精英化成医药科技有限公司523-86810021 18921709486 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
上海先诺生物科技有限公司021-50718719 13918719472
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
Related reactions
6 records
Compound notes
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