Basic information
- CAS
102585-77-3- Standard SMILES
C=CC[NH+]1CC2CCCC(C2)C1.[Br-]- InChIKey
XMRIGVJUKIULRX-UHFFFAOYSA-N- Molecular formula
- C11H20BrN
- Average molar mass
- 246.19 g/mol
- Monoisotopic mass
- 245.07791
Names & identifiers
- Preferred name
- 3-Azabicyclo(3.3.1)nonane, 3-allyl-, hydrobromide
- IUPAC
- 3-prop-2-enyl-3-azoniabicyclo[3.3.1]nonane bromide
Names & synonyms
N-Allil-3-isogranatanina bromidrato [Italian]3-Allyl-3-azabicyclo(3.3.1)nonane hydrobromideN-Allil-3-isogranatanina bromidrato3-AZABICYCLO(3.3.1)NONANE, 3-ALLYL-, HYDROBROMIDE102585-77-3RefChem:276773
Database identifiers
- CAS
102585-77-3- PubChem CID
- 59645
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 152
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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