Basic information
- CAS
36964-33-7- Standard SMILES
OCC12CC3CC(CC(Br)(C3)C1)C2- InChIKey
JZJOEXRURZNLIA-UHFFFAOYSA-N- Molecular formula
- C11H17BrO
- Average molar mass
- 245.16 g/mol
- Monoisotopic mass
- 244.04627726
Names & identifiers
- Preferred name
- 3-Bromotricyclo[3.3.1.13,7]decane-1-methanol
- IUPAC
- (3-bromo-1-adamantyl)methanol
- English name
- (3-bromo-1-adamantyl)methanol
- Molecular formula
- C11H17BrO
- Molecular weight
- 245.16
Names & synonyms
36964-33-73-Bromotricyclo[3.3.1.13,7]decane-1-methanol3-Bromotricyclo(3.3.1.13,7)decane-1-methanolRefChem:277823(3-BROMOADAMANTAN-1-YL)METHANOL(3-bromo-1-adamantyl)methanol(3-bromotricyclo[3.3.1.13,7]dec-1-yl)methanol3-bromo-1-adamantanemethanolSCHEMBL148583293-hydroxymethyl-1-bromoadamantaneJZJOEXRURZNLIA-UHFFFAOYSA-NDTXSID901258982
Show more names
Tricyclo[3.3.1.13,7]decane-1-methanol, 3-bromo-
AKOS004904069CCG-236538E87617
Database identifiers
- CAS
36964-33-7- PubChem CID
- 2802965
- DTXSID
DTXSID901258982
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Boiling point
- 302.7 · 302.7±15.0 °C(Predicted)
- Density
- 1.514 · 1.514±0.06 g/cm3(Predicted)
- pka
- 15.04 · 15.04±0.10(Predicted)
Chemistry & industry
Suppliers2 total
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
Related reactions
4 records
Compound notes
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