Basic information
- CAS
36094-52-7- Standard SMILES
CC12CC3(C)CC(C)(C1)CC(C(Cl)C(=O)NC1CCCCC1)(C2)C3- InChIKey
SKIYEEKIJMVQEE-UHFFFAOYSA-N- Molecular formula
- C21H34ClNO
- Average molar mass
- 352 g/mol
- Monoisotopic mass
- 351.2328924
Overview
See other relationships...
Names & identifiers
- Preferred name
- 2-chloro-N-cyclohexyl-2-(3,5,7-trimethyl-1-adamantyl)acetamide
- IUPAC
- 2-chloro-N-cyclohexyl-2-(3,5,7-trimethyl-1-adamantyl)acetamide
- English name
- Tricyclo[3.3.1.13,7]decane-1-acetamide,a-chloro-N-cyclohexyl-3,5,7-trimethyl-
- Molecular formula
- C21H34ClNO
- Molecular weight
- 351.95376
Names & synonyms
2-chloro-N-cyclohexyl-2-(3,5,7-trimethyl-1-adamantyl)acetamide36094-52-7NSC255330DTXSID30330448AKOS024430618NSC-2553302-CHLORO-N-CYCLOHEXYL-2-(3,5,7-TRIMETHYLADAMANTAN-1-YL)ACETAMIDEN-(CYCLOHEXYL)-ALPHA-CHLORO-3,5,7-TRIMETHYL-1-ADAMANTANE-ACETAMIDETricyclo[3.3.1.13,7]decane-1-acetamide,a-chloro-N-cyclohexyl-3,5,7-trimethyl-
Database identifiers
- CAS
36094-52-7- PubChem CID
- 429463
- DTXSID
DTXSID30330448
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 478
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H413
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H413
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…