1-Benzyl-4-(o-toluidino)piperidine-4-carbonitrile
Basic information
- CAS
972-17-8- Standard SMILES
Cc1ccccc1NC1(C#N)CCN(Cc2ccccc2)CC1- InChIKey
PZPLFWQZPIAMRU-UHFFFAOYSA-N- Molecular formula
- C20H23N3
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.18919775
Names & identifiers
- Preferred name
- 1-Benzyl-4-(o-toluidino)piperidine-4-carbonitrile
- IUPAC
- 1-benzyl-4-(2-methylanilino)piperidine-4-carbonitrile
- English name
- 1-benzyl-4-(o-toluidino)piperidine-4-carbonitrile
- Molecular formula
- C20H23N3
- Molecular weight
- 305.41672
Names & synonyms
1-Benzyl-4-(o-toluidino)piperidine-4-carbonitrileEINECS 213-541-4NSC 730084-[(2-Methylphenyl)amino]-1-(phenylmethyl)-4-piperidinecarbonitrile4-((2-Methylphenyl)amino)-1-(phenylmethyl)-4-piperidinecarbonitrileRefChem:429924213-541-4972-17-8NSC730081-benzyl-4-(2-methylanilino)piperidine-4-carbonitrileMLS002693816NSC-73008
Show more names
1-BENZYL-4-CYANO-4-(ORTHO-TOLUIDINO)-PIPERIDINE1-Benzyl-4-[(2-methylphenyl)amino]-4-piperidinecarbonitrile
1-Benzyl-4-(2-toluidino)-4-piperidinecarbonitrileBD78N8A77MSCHEMBL6045501CHEMBL1904336DTXSID30914060HMS3085L15AKOS024323088SMR001559757
Database identifiers
- CAS
972-17-8- PubChem CID
- 70415
- DTXSID
DTXSID30914060- ChEMBL
CHEMBL1904336- UNII
- BD78N8A77M
- EC Number
- 213-541-4
- Nikkaji
- J298.575F
Properties
Computed structural properties
- 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
- 410
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H400-H318-H315
- Precautionary statements
- 273 · P273-P391-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS09,GHS05
- Hazard statements
- H335-H400-H318-H315
- Precautionary statements
- P273-P391-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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