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Basic information
- Standard SMILES
CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2.N[C@H]1Cc2ccc(Br)cc2C1- InChIKey
KRMCYAONEGQNMQ-NPULLEENSA-N- Molecular formula
- C19H26BrNO4S
- Average molar mass
- 444.4 g/mol
- Monoisotopic mass
- 443.07659
Names & identifiers
- Preferred name
- (s)-5-Bromo-2-aminoindane camphorsulfonate salt
- IUPAC
- (2S)-5-bromo-2,3-dihydro-1H-inden-2-amine;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonic acid
Names & synonyms
SCHEMBL960611KRMCYAONEGQNMQ-NPULLEENSA-N(s)-5-bromo-2-aminoindane camphorsulfonate salt
Database identifiers
- PubChem CID
- 86650331
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 552
Related reactions
1 records
Compound notes
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