Basic information
- CAS
1178166-75-0- Standard SMILES
CCC1CCC(Nc2cccc(N3CCCC3)c2)CC1- InChIKey
KVPODSQWCGAUSL-UHFFFAOYSA-N- Molecular formula
- C18H28N2
- Average molar mass
- 272.4 g/mol
Names & identifiers
- Preferred name
- N-(4-ethylcyclohexyl)-3-(pyrrolidin-1-yl)aniline
- IUPAC
- N-(4-ethylcyclohexyl)-3-pyrrolidin-1-ylaniline
- English name
- N-(4-Ethylcyclohexyl)-3-(pyrrolidin-1-yl)aniline
- Molecular formula
- C18H28N2
- Molecular weight
- 272.43
Names & synonyms
N-(4-ethylcyclohexyl)-3-(pyrrolidin-1-yl)aniline1178166-75-0N-(4-ethylcyclohexyl)-3-pyrrolidin-1-ylanilineDXB16675AKOS008143287CS-0262113EN300-81501G57003Z608520304Benzenamine, N-(4-ethylcyclohexyl)-3-(1-pyrrolidinyl)-
Database identifiers
- CAS
1178166-75-0
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Boiling point
- 433.7 · 433.7±28.0 °C(Predicted)
- Density
- 1.033 · 1.033±0.06 g/cm3(Predicted)
- pka
- 6.14 · 6.14±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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