Basic information
- CAS
132173-04-7- Standard SMILES
CCN(CC#Cc1ccc(C2CCCCC2)c(Cl)c1)C1CCCCC1- InChIKey
ATBHGYHPJAQRDE-UHFFFAOYSA-N- Molecular formula
- C23H32ClN
- Average molar mass
- 358 g/mol
- Monoisotopic mass
- 357.2223277
Names & identifiers
- Preferred name
- N-[3-(3-Chloro-4-cyclohexylphenyl)-2-propynyl]-N-ethyl-cyclohexane amine
- IUPAC
- N-[3-(3-chloro-4-cyclohexylphenyl)prop-2-ynyl]-N-ethylcyclohexanamine
- English name
- N-[3-(3-Chloro-4-cyclohexylphenyl)-2-propynyl]-N-ethyl-cyclohexane amine
- Molecular formula
- C23H32ClN
- Molecular weight
- 357.96
Names & synonyms
132173-04-7N-[3-(3-CHLORO-4-CYCLOHEXYLPHENYL)-2-PROPYNYL]-N-ETHYL-CYCLOHEXANE AMINEN-[3-(3-chloro-4-cyclohexylphenyl)prop-2-ynyl]-N-ethylcyclohexanamineSCHEMBL7325355SCHEMBL29412738DTXSID40563129AKOS030241417N-[3-(3-Chloro-4-cyclohexylphenyl)prop-2-yn-1-yl]-N-ethylcyclohexanamineN-[3-(3-chloro-4-cycloA-hexylA-phenylA-)-2-propynylA-]-N-ethyl-cycloA-hexane amineCyclohexanamine, N-[3-(3-chloro-4-cyclohexylphenyl)-2-propyn-1-yl]-N-ethyl-
Database identifiers
- CAS
132173-04-7- PubChem CID
- 14697643
- DTXSID
DTXSID40563129
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 449
Physicochemical properties
- Boiling point
- 465 · 465.0±45.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- pka
- 7.42 · 7.42±0.20(Predicted)
Chemistry & industry
Suppliers1 total
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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