Basic information
- CAS
25503-91-7- Standard SMILES
CC(=O)N1CCC(C#N)CC1- InChIKey
NFDGRMQIOHRQHF-UHFFFAOYSA-N- Molecular formula
- C8H12N2O
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.094963
Names & identifiers
- Preferred name
- 1-Acetylpiperidine-4-carbonitrile
- IUPAC
- 1-acetylpiperidine-4-carbonitrile
- English name
- 1-Acetylpiperidine-4-carbonitrile
- Molecular formula
- C8H12N2O
- Molecular weight
- 152.19
Names & synonyms
1-acetylpiperidine-4-carbonitrile25503-91-71-ACETYL-4-CYANOPIPERIDINEMFCD002210551-acetyl-4-piperidinecarbonitrile1-ethanoylpiperidine-4-carbonitrileS1Vorb3030119SCHEMBL6107767DTXSID00373327NFDGRMQIOHRQHF-UHFFFAOYSA-NFr14327
Show more names
1-Acetyl-isonipecotonitrileN-acetyl-4-piperidinecarbonitrile4-Piperidinecarbonitrile, 1-acetyl-1-acetylpiperidine-4-carbonitrile - [A85956]
AB1023SBB086863AKOS006230439AB04947GS-0408SY063699DB-015714CS-0206537
Database identifiers
- CAS
25503-91-7- PubChem CID
- 2756286
- DTXSID
DTXSID00373327
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 140 °C · 140 °C
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform, Dichloromethane, Ethanol, Ether, Methanol
- form
- Solid
- color
- Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 280 · P280
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 36 · 36/37
- RIDADR
- 3276 · 3276
Safety & regulation
Safety data
- ridadr
- 3276
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 36/37
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P280
Chemistry & industry
Applications
UsesIntermediate in the preparation of CNS depressants.
Upstream & downstream products
Upstream raw materials
Suppliers29 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [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]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
上海皓伯化工科技有限公司021-57790084 13918007836
TargetMol 中国（陶术生物）
Related reactions
6 records
Compound notes
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