1-Benzyl-4-(p-toluidino)piperidine-4-carbonitrile
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Basic information
- CAS
972-19-0- Standard SMILES
Cc1ccc(NC2(C#N)CCN(Cc3ccccc3)CC2)cc1- InChIKey
OIDUIUJRLUPBPH-UHFFFAOYSA-N- Molecular formula
- C20H23N3
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.18919775
Names & identifiers
- Preferred name
- 1-Benzyl-4-(p-toluidino)piperidine-4-carbonitrile
- IUPAC
- 1-benzyl-4-(4-methylanilino)piperidine-4-carbonitrile
- English name
- 1-benzyl-4-(p-toluidino)piperidine-4-carbonitrile
- Molecular formula
- C20H23N3
- Molecular weight
- 305.41672
Names & synonyms
972-19-01-Benzyl-4-(p-toluidino)piperidine-4-carbonitrileEINECS 213-544-0DTXSID50242771NSC 730104-[(4-Methylphenyl)amino]-1-(phenylmethyl)-4-piperidinecarbonitrile4-((4-Methylphenyl)amino)-1-(phenylmethyl)-4-piperidinecarbonitrileRefChem:429925DTXCID80165262213-544-01-benzyl-4-(4-methylanilino)piperidine-4-carbonitrile1-Benzyl-4-Cyano-4-(Para-Toluidino)-Piperidine
Show more names
1-Benzyl-4-[(4-methylphenyl)amino]-4-piperidinecarbonitrile
MLS002693818NSC-73010NSC7301064UZ2E3PW7SCHEMBL7706443CHEMBL1906614OIDUIUJRLUPBPH-UHFFFAOYSA-NHMS3085G04
Database identifiers
- CAS
972-19-0- PubChem CID
- 70417
- DTXSID
DTXSID50242771- ChEMBL
CHEMBL1906614- UNII
- 64UZ2E3PW7
- EC Number
- 213-544-0
- Nikkaji
- J298.577B
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 402
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H400
- Precautionary statements
- 273 · P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 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 CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H319-H400
- Precautionary statements
- P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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