Cyclohexanecarbonitrile, 1-(ethylamino)-
Basic information
- CAS
22912-24-9- Standard SMILES
CCNC1(C#N)CCCCC1- InChIKey
FVHNIWSSACDLBF-UHFFFAOYSA-N- Molecular formula
- C9H16N2
- Average molar mass
- 152.24 g/mol
- Monoisotopic mass
- 152.13134852
Names & identifiers
- Preferred name
- Cyclohexanecarbonitrile, 1-(ethylamino)-
- IUPAC
- 1-(ethylamino)cyclohexane-1-carbonitrile
- English name
- 1-(Ethylamino)cyclohexanecarbonitrile
- Molecular formula
- C9H16N2
- Molecular weight
- 152.24
Names & synonyms
1-(Ethylamino)cyclohexanecarbonitrile22912-24-9BRN 2802544Cyclohexanecarbonitrile, 1-(ethylamino)-DTXSID50177458RefChem:335251DTXCID50999491-(ethylamino)cyclohexane-1-carbonitrile1-ethylaminocyclohexanecarbonitrileAKOS009235599
Database identifiers
- CAS
22912-24-9- PubChem CID
- 211339
- DTXSID
DTXSID50177458- EC Number
- 683-707-2
- Nikkaji
- J72.698B
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Boiling point
- 70 · 70-71 °C(Press: 1.2 Torr)
- Density
- 0.94 · 0.94±0.1 g/cm3(Predicted)
- pka
- 5.16 · 5.16±0.20(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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