Basic information
- CAS
4701-96-6- Standard SMILES
CC1(C)CCC(=NO)CC1- InChIKey
IJGLUXGAALWDOQ-UHFFFAOYSA-N- Molecular formula
- C8H15NO
- Average molar mass
- 141.21 g/mol
- Monoisotopic mass
- 141.1153641
Names & identifiers
- Preferred name
- N-(4,4-dimethylcyclohexylidene)hydroxylamine
- IUPAC
- N-(4,4-dimethylcyclohexylidene)hydroxylamine
- English name
- N-(4,4-Dimethylcyclohexylidene)hydroxylamine
- Molecular formula
- C8H15NO
- Molecular weight
- 141.21
Names & synonyms
4701-96-64,4-Dimethylcyclohexanone oximeN-(4,4-dimethylcyclohexylidene)hydroxylamine4,4-DIMETHYLCYCLOHEXAN-1-ONE OXIMEMFCD203199814,4-Dimethylcyclohexan-1-oneoximeNSC129972SCHEMBL15710094,4-dimethyl cyclohexanone oximeDTXSID20963724IJGLUXGAALWDOQ-UHFFFAOYSA-NAKOS013723791
Show more names
Cyclohexanone, 4,4-dimethyl-, oxime
NSC-129972AS-60695W18549
Database identifiers
- CAS
4701-96-6- PubChem CID
- 279448
- DTXSID
DTXSID20963724
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- Boiling point
- 220.7 · 220.7±9.0 °C(Predicted)
- Density
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- pka
- 12.44 · 12.44±0.40(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
18 records
Compound notes
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