Basic information
- CAS
5766-79-0- Standard SMILES
N#CC(c1ccccc1)N1CCCCC1- InChIKey
IXQJQHORYHYKBD-UHFFFAOYSA-N- Molecular formula
- C13H16N2
- Average molar mass
- 200.28 g/mol
- Monoisotopic mass
- 200.13134852
Names & identifiers
- Preferred name
- 2-Phenyl-2-piperidinoacetonitrile
- IUPAC
- 2-phenyl-2-piperidin-1-ylacetonitrile
- English name
- 2-Phenyl-2-piperidinoacetonitrile
- Molecular formula
- C13H16N2
- Molecular weight
- 200.28
Names & synonyms
2-Phenyl-2-piperidinoacetonitrileRefChem:478050227-291-95766-79-02-phenyl-2-(piperidin-1-yl)acetonitrileUSAF A-2217ACETONITRILE, 2-PHENYL-2-PIPERIDINO-2-phenyl-2-piperidin-1-ylacetonitrilePhenylpiperidinoacetonitrileNSC 15446alpha-(1-Piperidyl)-alpha-tolunitrile1-Piperidineacetonitrile, alpha-phenyl-
Show more names
LABOTEST-BB LT00454898α-Piperidino-α-tolunitrilePiperidinophenylacetonitrileα-Phenyl-1-piperidineacetonitrile2-phenyl-2-piperidino-acetonitrilalpha-piperidino-alpha-tolunitril
1-Piperidineacetonitrile, .alpha.-phenyl-MFCD000237112-phenyl-2-(1-piperidyl)acetonitrile1-(1-Cyanobenzyl)piperidine1-(a-Cyanobenzyl)-piperidine.alpha.-Tolunitrile-.alpha.-piperidino-.alpha.-(1-Piperidyl)-.alpha.-tolunitrile.alpha.-Phenyl-.alpha.-(1-piperidino)-acetonitril
Database identifiers
- CAS
5766-79-0- PubChem CID
- 21989
- DTXSID
DTXSID401299234- EC Number
- 227-291-9
- Nikkaji
- J48.085A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Melting point
- 62 °C · 62 °C
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
- HS Code
- 2933399990 · 2933399990
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesPhenylpiperidinoacetonitrile, is a building block used in various chemical synthesis.
Suppliers10 total
陕西缔都新材料有限公司029-63373950 17392216152 · [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]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海锌果科技有限公司13120711461 · [email protected]
成都博科辰欣医药科技有限公司028-82393420 18108156287 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京毕科生物科技有限公司025-58906079 17352406906 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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