Spiro(4H-3,1-benzothiazine-4,1'-cyclohexane), 5,6,7,8-tetrahydro-2-amino-, hydrochloride
Basic information
- CAS
23242-29-7- Standard SMILES
Cl.NC1=NC2=C(CCCC2)C2(CCCCC2)S1- InChIKey
HLFCYXLGOZUNBU-UHFFFAOYSA-N- Molecular formula
- C13H21ClN2S
- Average molar mass
- 272.84 g/mol
- Monoisotopic mass
- 272.1113975
Names & identifiers
- Preferred name
- Spiro(4H-3,1-benzothiazine-4,1'-cyclohexane), 5,6,7,8-tetrahydro-2-amino-, hydrochloride
- IUPAC
- spiro[5,6,7,8-tetrahydro-3,1-benzothiazine-4,1'-cyclohexane]-2-amine;hydrochloride
Names & synonyms
23242-29-7Spiro(4H-3,1-benzothiazine-4,1'-cyclohexane), 5,6,7,8-tetrahydro-2-amino-, hydrochloride5,6,7,8-Tetrahydro-2-aminospiro(4H-3,1-benzothiazine-4,1'-cyclohexane) hydrochlorideDTXSID30177815RefChem:380891DTXCID90100306SR-01000397601SR-01000397601-15,6,7,8-Tetrahydrospiro[[3,1]benzothiazine-4,1'-cyclohexan]-2-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
23242-29-7- PubChem CID
- 211504
- DTXSID
DTXSID30177815
Properties
Computed structural properties
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 351
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Compound notes
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