1-Benzyl-4-(m-toluidino)piperidine-4-carbonitrile
Basic information
- CAS
972-18-9- Standard SMILES
Cc1cccc(NC2(C#N)CCN(Cc3ccccc3)CC2)c1- InChIKey
VRQNYTJDMMMAQU-UHFFFAOYSA-N- Molecular formula
- C20H23N3
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.18919774
Names & identifiers
- Preferred name
- 1-Benzyl-4-(m-toluidino)piperidine-4-carbonitrile
- IUPAC
- 1-benzyl-4-(3-methylanilino)piperidine-4-carbonitrile
- English name
- 1-benzyl-4-(m-toluidino)piperidine-4-carbonitrile
- Molecular formula
- C20H23N3
- Molecular weight
- 305.42
Names & synonyms
972-18-91-Benzyl-4-(m-toluidino)piperidine-4-carbonitrileEINECS 213-543-5NSC 73009DTXSID902427704-[(3-Methylphenyl)amino]-1-(phenylmethyl)-4-piperidinecarbonitrile4-((3-Methylphenyl)amino)-1-(phenylmethyl)-4-piperidinecarbonitrileRefChem:429921DTXCID20165261213-543-51-benzyl-4-(3-methylanilino)piperidine-4-carbonitrileMLS002693817
Show more names
1-Benzyl-4-cyano-4-(m-toluidino)-piperidine1-BENZYL-4-CYANO-4-(META-TOLUIDINO)-PIPERIDINE1-Benzyl-4-[(3-methylphenyl)amino]-4-piperidinecarbonitrile4-Piperidinecarbonitrile, 4-[(3-methylphenyl)amino]-1-(phenylmethyl)-
NSC-73009NSC73009ECA9AXT7HXSCHEMBL7705959CHEMBL1896700HMS3085K06AKOS024323089SMR001559758
Database identifiers
- CAS
972-18-9- PubChem CID
- 70416
- DTXSID
DTXSID90242770- ChEMBL
CHEMBL1896700- UNII
- ECA9AXT7HX
- EC Number
- 213-543-5
- Nikkaji
- J298.576D
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
- Melting point
- 95.5 · 95.5-97.0 °C
- Boiling point
- 484.4 · 484.4±45.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 6.15 · 6.15±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400-H319
- 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
- H400-H319
- Precautionary statements
- P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
7 records
Compound notes
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