Basic information
- CAS
1024-16-4- Standard SMILES
CCNC1(C#N)CCN(Cc2ccccc2)CC1- InChIKey
NPYMJCBIPUSGQF-UHFFFAOYSA-N- Molecular formula
- C15H21N3
- Average molar mass
- 243.35 g/mol
- Monoisotopic mass
- 243.17354767
Names & identifiers
- Preferred name
- 1-Benzyl-4-(ethylamino)piperidine-4-carbonitrile
- IUPAC
- 1-benzyl-4-(ethylamino)piperidine-4-carbonitrile
- English name
- 1-benzyl-4-(ethylamino)piperidine-4-carbonitrile
- Molecular formula
- C15H21N3
- Molecular weight
- 243.35
Names & synonyms
1-Benzyl-4-(ethylamino)piperidine-4-carbonitrile1024-16-4EINECS 213-830-5DTXSID10145037NSC 72998RefChem:429917DTXCID3067528213-830-5MLS002693809HMS3085C06NSC72998SCHEMBL971739
Show more names
4-Ethylamino-1-phenylmethyl-4-piperidinecarbonitrile4-Piperidinecarbonitrile, 4-(ethylamino)-1-(phenylmethyl)-
CHEMBL1710040NSC-72998AKOS005880502SMR0015597501-benzyl-4-cyano-4-(ethylamino)piperidineNS000231451-benzyl-4-ethylaminopiperidine-4-carbonitrile1-BENZYL-4-CYANO-4-(ETHYLAMINO)-PIPERIDINE
Database identifiers
- CAS
1024-16-4- PubChem CID
- 70558
- DTXSID
DTXSID10145037- ChEMBL
CHEMBL1710040- EC Number
- 213-830-5
- Nikkaji
- J217.148A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Melting point
- 55 · 55-56 °C
- Boiling point
- 379.2 · 379.2±42.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- pka
- 6.23 · 6.23±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
UKRORGSYN-BB[email protected]
CHEMICAL LAND21[email protected]
Related reactions
10 records
Compound notes
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