1-Benzyl-4-((4-chlorophenyl)amino)piperidine-4-carbonitrile
Basic information
- CAS
972-20-3- Standard SMILES
N#CC1(Nc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1- InChIKey
VVMOFVNFPBAHLP-UHFFFAOYSA-N- Molecular formula
- C19H20ClN3
- Average molar mass
- 325.8 g/mol
- Monoisotopic mass
- 325.1345753
Names & identifiers
- Preferred name
- 1-Benzyl-4-((4-chlorophenyl)amino)piperidine-4-carbonitrile
- IUPAC
- 1-benzyl-4-(4-chloroanilino)piperidine-4-carbonitrile
- English name
- 1-benzyl-4-[(4-chlorophenyl)amino]piperidine-4-carbonitrile
- Molecular formula
- C19H20ClN3
- Molecular weight
- 325.84
Names & synonyms
1-benzyl-4-[(4-chlorophenyl)amino]piperidine-4-carbonitrile972-20-3EINECS 213-545-61-Benzyl-4-((4-chlorophenyl)amino)piperidine-4-carbonitrileDTXSID10242772NSC 73396RefChem:429902DTXCID40165263213-545-61-benzyl-4-(4-chloroanilino)piperidine-4-carbonitrileNSC73396SCHEMBL654710
Show more names
1-Benzyl-4-[(4-chlorophenyl)amino]-4-piperidinecarbonitrile4-Piperidinecarbonitrile, 4-[(4-chlorophenyl)amino]-1-(phenylmethyl)-
NSC-73396AKOS024323084NS00042112ST504432591-BENZYL-4-(4-CHLOROANILINO)-4-CYANOPIPERIDINE1-Benzyl-4-(4-chloro-phenylamino)-piperidine-4-carbonitrile
Database identifiers
- CAS
972-20-3- PubChem CID
- 70418
- DTXSID
DTXSID10242772- EC Number
- 213-545-6
- Nikkaji
- J298.578K
Properties
Computed structural properties
- XLogP
- 4.2
- 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
- 408
Physicochemical properties
- Melting point
- 157 · 157-159 °C
- Boiling point
- 508.7 · 508.7±50.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 6.08 · 6.08±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05,GHS09
- Signal word
- Danger
- Hazard statements
- 335 · H335-H410-H318-H315
- Precautionary statements
- 273 · P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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 39 reports by companies from 2 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,GHS05,GHS09
- Hazard statements
- H335-H410-H318-H315
- Precautionary statements
- P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
18 records
Compound notes
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