Basic information
- CAS
5461-52-9- Standard SMILES
CCN(CC)C(=O)C1CCCCC1- InChIKey
ODMGIVMJSFDBSW-UHFFFAOYSA-N- Molecular formula
- C11H21NO
- Average molar mass
- 183.29 g/mol
- Monoisotopic mass
- 183.16231429
Names & identifiers
- Preferred name
- Cyclohexanecarboxamide, N,N-diethyl-
- IUPAC
- N,N-diethylcyclohexanecarboxamide
- English name
- Cyclohexanecarboxamide, N,N-diethyl-
- Molecular formula
- C11H21NO
- Molecular weight
- 183.29
Names & synonyms
5461-52-9Cyclohexanecarboxamide, N,N-diethyl-AI3-20458DTXSID30203042NSC 5964RefChem:335277DTXCID30125533N,N-diethylcyclohexanecarboxamideNSC5964SCHEMBL3628742N,N-diethyl-cyclohexanecarboxamideNSC-5964
Show more names
MFCD03374855AKOS003861935H71376
Database identifiers
- CAS
5461-52-9- PubChem CID
- 94872
- DTXSID
DTXSID30203042- Nikkaji
- J419.224I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 94 · 94-95 °C(Press: 0.1 Torr)
- Density
- 0.942 · 0.942±0.06 g/cm3(Predicted)
- pka
- -0.49 · -0.49±0.20(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314-H318-H319-H333-H335
- Precautionary statements
- 231 · P231+P232-P233-P235-P260-P264-P271-P280-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P310-P362-P363-P403+P233-P403+P235
- RIDADR
- 2735 · UN2735
- HazardClass
- 8 · 8
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- UN2735
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_class
- 8
- Hazard statements
- H302-H314-H318-H319-H333-H335
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Precautionary statements
- P231+P232-P233-P235-P260-P264-P271-P280-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P310-P362-P363-P403+P233-P403+P235
Chemistry & industry
Suppliers2 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
菏泽书颖生物科技有限公司18553078733 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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