Basic information
- CAS
6970-60-1- Standard SMILES
CN(C)C1CCCCC1=O- InChIKey
JOZKRRZOWRUDEK-UHFFFAOYSA-N- Molecular formula
- C8H15NO
- Average molar mass
- 141.21 g/mol
- Monoisotopic mass
- 141.1153641
Names & identifiers
- Preferred name
- 2-(Dimethylamino)cyclohexan-1-one
- IUPAC
- 2-(dimethylamino)cyclohexan-1-one
- English name
- 2-(dimethylamino)cyclohexanone
- Molecular formula
- C8H15NO
- Molecular weight
- 141.21
Names & synonyms
2-(dimethylamino)cyclohexan-1-oneRefChem:460798846-667-92-(Dimethylamino)cyclohexanone6970-60-1Cyclohexanone, 2-(dimethylamino)-dimethylaminocyclohexanone2-(N,N-Dimethylamino)cyclohexanoneGS2KC4HG9GNSC-62030NSC62030UNII-GS2KC4HG9G
Show more names
SCHEMBL57963622-(Dimethylamino)-cyclohexanoneDTXSID101020888NSC 62030AKOS004122962CS-0242258EN300-246581AE-641/00191050
Database identifiers
- CAS
6970-60-1- PubChem CID
- 138887
- DTXSID
DTXSID101020888- UNII
- GS2KC4HG9G
- EC Number
- 846-667-9
- Nikkaji
- J83.308H
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Boiling point
- 87 °C · 87 °C(Press: 15 Torr)
- Density
- 0.94 g/cm3 · 0.940 g/cm3(Temp: 25 °C)
- pka
- 7.24 · 7.24±0.20(Predicted)
- FDA UNII
- 2 KC4HG9G · GS2KC4HG9G
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H335-H227
- Precautionary statements
- 210 · P210-P280-P370+P378-P403+P235-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Safety & regulation
GHS classification
GHS Classification
Danger
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H314-H335-H227
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Suppliers6 total
海济医药科技（苏州）有限公司18012778619 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
常州协丰医药研发有限公司519-85601385 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
江苏药泽医药科技有限公司18962082606 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
4 records
Compound notes
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