Hexyl Sulfamate
Basic information
- CAS
18050-00-5- Standard SMILES
CCCCCCOS(N)(=O)=O- InChIKey
BJLJBRCPDABXCA-UHFFFAOYSA-N- Molecular formula
- C6H15NO3S
- Average molar mass
- 181.26 g/mol
- Monoisotopic mass
- 181.07726451
Names & identifiers
- Preferred name
- Hexyl Sulfamate
- IUPAC
- hexyl sulfamate
Names & synonyms
hexyl sulfamateDTXSID40939340RefChem:146358DTXCID701367840CHEMBL2335232hexylsulfamateSCHEMBL8820533BJLJBRCPDABXCA-UHFFFAOYSA-NBDBM50428817
Database identifiers
- CAS
18050-00-5- PubChem CID
- 87432
- DTXSID
DTXSID40939340- ChEMBL
CHEMBL2335232- Nikkaji
- J260.855C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 171
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Related reactions
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Compound notes
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