Basic information
- CAS
16267-35-9- Standard SMILES
CC1C2CC3CC1CC(C)(C3)C2- InChIKey
MUQFEEYWQQZABK-UHFFFAOYSA-N- Molecular formula
- C12H20
- Average molar mass
- 164.29 g/mol
- Monoisotopic mass
- 164.15650064
Names & identifiers
- Preferred name
- 1,4-Dimethyladamantane
- IUPAC
- 1,4-dimethyladamantane
- English name
- 1,2-/1,4-Dimethyladamantane
- Molecular formula
- C12H20
- Molecular weight
- 164.29
Names & synonyms
1,4-Dimethyladamantane16267-35-9DTXSID503436111,4-Dimethyladamantane, stereoisomerRefChem:220676DTXCID40820749MUQFEEYWQQZABK-UHFFFAOYSA-NTricyclo[3.3.1.13,7]decane, 1,4-dimethyl-tricyclo[3.3.1.1~3,7~]decane, 1,4-dimethyl-MFCD097434831,4-Dimethyladamantane, # 11,4-Dimethyladamantane #
Show more names
Cis-1,4-dimethyladamantane1,4-Dimethyladamantane in isooctane(1r,3R,5S,7s)-1,4-dimethyladamantane1,4-Dimethyl Adamantane (Mixture of Diastereomers)1,4 Dimethyl Adamantane ((Mixture of Disastereomers)1,4-Dimethyladamantane, [1.alpha., 3.beta., 4.beta., 5.alpha., 7.beta.]-
1,4-Dimethyladamantane, # 2SCHEMBL2545728ALBB-013822AKOS005174012FD123133DB-328759CS-0447640
Database identifiers
- CAS
16267-35-9- PubChem CID
- 590907
- DTXSID
DTXSID50343611
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Boiling point
- 206.7 · 206.7±7.0 °C(Predicted)
- Density
- 0.943 · 0.943±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
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_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesA labelled impurity from the synthesis of 1,3-Dimethyl Adamantane.
UsesAn impurity from the synthesis of 1,3-Dimethyl Adamantane.
Suppliers15 total
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
BOC Sciences16314854226 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
山东鸿图生物科技有限公司15318761660 15966937598 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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