CAS 78056-67-4 1-Benzylpiperidine-4-acetonitrile (HCID 562499)

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Basic information

CAS: 78056-67-4
Standard SMILES: N#CCC1CCN(Cc2ccccc2)CC1
InChIKey: ZKOHFVJCKMHYSL-UHFFFAOYSA-N
Molecular formula: C14H18N2
Average molar mass: 214.31 g/mol
Monoisotopic mass: 214.14699858

Names & identifiers

Preferred name: 1-Benzylpiperidine-4-acetonitrile
IUPAC: 2-(1-benzylpiperidin-4-yl)acetonitrile
English name: 1-benzylpiperidine-4-acetonitrile
Molecular formula: C14H18N2
Molecular weight: 214.31

Names & synonyms

1-Benzylpiperidine-4-acetonitrileEINECS 278-822-61-(phenylmethyl)-4-piperidineacetonitrileRefChem:430044278-822-678056-67-42-(1-benzylpiperidin-4-yl)acetonitrile2-(1-Benzyl-4-piperidyl)acetonitrile(1-BENZYLPIPERIDIN-4-YL)ACETONITRILEMFCD000101084-Piperidineacetonitrile,1-(phenylmethyl)-SCHEMBL2407205

Show more names

(1-Benzyl-4-piperidyl)acetonitrile1-Benzyl-4-piperidineacetonitrile,97%4-Piperidineacetonitrile, 1-(phenylmethyl)-

DTXSID509992981-Benzyl-4-piperidineacetonitrileSBB042691STL191123AKOS0002689752-[1-benzyl-4-piperidyl]ethanenitrileCS-W001644KF-0239

Database identifiers

CAS: 78056-67-4
PubChem CID: 562499
DTXSID: DTXSID50999298
EC Number: 278-822-6
Nikkaji: J236.693B

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 27 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 239

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 332 · H332-H302-H312
Precautionary statements: 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2933399990
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H332-H302-H312
Precautionary statements: P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501