2-Propanol, 1-(o-cyclopropylphenoxy)-3-(diethylamino)-, cyclohexanesulfamate
Basic information
- CAS
29680-45-3- Standard SMILES
CCN(CC)CC(O)COc1ccccc1C1CC1.O=S(=O)(O)NC1CCCCC1- InChIKey
KVXDCCSCBRFQLX-UHFFFAOYSA-N- Molecular formula
- C22H38N2O5S
- Average molar mass
- 442.6 g/mol
- Monoisotopic mass
- 442.25014349
Names & identifiers
- Preferred name
- 2-Propanol, 1-(o-cyclopropylphenoxy)-3-(diethylamino)-, cyclohexanesulfamate
- IUPAC
- cyclohexylsulfamic acid;1-(2-cyclopropylphenoxy)-3-(diethylamino)propan-2-ol
Names & synonyms
29680-45-32-Propanol, 1-(o-cyclopropylphenoxy)-3-(diethylamino)-, cyclohexanesulfamateRefChem:10642661-(o-Cyclopropylphenoxy)-3-(diethylamino)-2-propanol cyclohexanesulfamateDTXSID60952137Cyclohexylsulfamic acid--1-(2-cyclopropylphenoxy)-3-(diethylamino)propan-2-ol (1/1)
Database identifiers
- CAS
29680-45-3- PubChem CID
- 207336
- DTXSID
DTXSID60952137
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 451
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Compound notes
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