1-Bromo-3-methyladamantane
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Basic information
- CAS
702-77-2- Standard SMILES
CC12CC3CC(C1)CC(Br)(C3)C2- InChIKey
MXAYGTASSPYUJB-UHFFFAOYSA-N- Molecular formula
- C11H17Br
- Average molar mass
- 229.16 g/mol
- Monoisotopic mass
- 228.05136
Names & identifiers
- Preferred name
- 1-Bromo-3-methyladamantane
- IUPAC
- 1-bromo-3-methyladamantane
- English name
- 1-BROMO-3-METHYLADAMANTANE
- Molecular formula
- C11H17Br
- Molecular weight
- 229.16
Names & synonyms
1-bromo-3-methyladamantaneDTXSID70330447RefChem:430503DTXCID30281542967-673-9702-77-2MFCD001677991-bromo-3-methyl-adamantane1-Bromo-3-Methyl Adamantane(1S,3S,5R,7S)-1-BROMO-3-METHYLADAMANTANE1-Methyl-3-bromoadamantane1-Bromo-3-methyl-tricyclo[3.3.1.13,7]decane
Show more names
Memantine Impurity 34Adamantane Impurity 191-Bromo-3-Methyladamantane,95%
NSC255329NSC 2553291-Bromo-3-methyl adamantineTricyclo[3.3.1.13,7]decane, 1-bromo-3-methyl-SCHEMBL4887907SCHEMBL11460884MXAYGTASSPYUJB-UHFFFAOYSA-NALBB-035171
Database identifiers
- CAS
702-77-2- PubChem CID
- 429462
- DTXSID
DTXSID70330447- EC Number
- 967-673-9
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Boiling point
- 95 · 95-97℃ (4 Torr)
- Density
- 1.403 · 1.403±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- solubility
- Chloroform (Soluble), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Colourless to Pale Yellow Oil
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesIntermediate int he preparation of Memantine derivatives.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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