Basic information
- CAS
16496-77-8- Standard SMILES
NC1CCCCC1S(=O)(=O)O- InChIKey
NDRPLJAHCNWEKE-UHFFFAOYSA-N- Molecular formula
- C6H13NO3S
- Average molar mass
- 179.24 g/mol
- Monoisotopic mass
- 179.06161445
Names & identifiers
- Preferred name
- 2-Aminocyclohexanesulfonic acid
- IUPAC
- 2-aminocyclohexane-1-sulfonic acid
- English name
- 2-aminocyclohexanesulfonic acid
- Molecular formula
- C6H13NO3S
- Molecular weight
- 179.24
Names & synonyms
2-Aminocyclohexanesulfonic acid16496-77-82-TahsRefChem:853742-aminocyclohexane-1-sulfonic acid(1S,2S)-2-Aminocyclohexane-1-sulfonic acid1076192-93-2SCHEMBL1031356DTXSID50937019Cyclohexanesulfonic acid, 2-amino-SB46707
Database identifiers
- CAS
16496-77-8- PubChem CID
- 152154
- DTXSID
DTXSID50937019- Nikkaji
- J1.729.223D
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Melting point
- 410 °C · 410 °C (decomp)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 1.22 · 1.22±0.20(Predicted)
Chemistry & industry
Suppliers1 total
杭州宇昊化工科技有限公司0571-82693216 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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