Cyclexedrine
Basic information
- CAS
532-52-5- Standard SMILES
CNCC(C)C1CCCCC1- InChIKey
AGJJTKRYTPXPGM-UHFFFAOYSA-N- Molecular formula
- C10H21N
- Average molar mass
- 155.28 g/mol
- Monoisotopic mass
- 155.16739967
Names & identifiers
- Preferred name
- Cyclexedrine
- IUPAC
- 2-cyclohexyl-N-methylpropan-1-amine
- English name
- N,β-Dimethylcyclohexaneethanamine
- Molecular formula
- C10H21N
- Molecular weight
- 155.28
Names & synonyms
cyclexedrineIsopropylhexedrineEthylhexedrine532-52-5Cyclexedrine [MI]N,beta-DimethylcyclohexaneethanamineUNII-4Z1AMN7QRB4Z1AMN7QRBCyclohexaneethanamine, N,beta-dimethyl-N,.BETA.-DIMETHYLCYCLOHEXANEETHANAMINECYCLOHEXANEETHANAMINE, N,.BETA.-DIMETHYL-RefChem:200289
Show more names
Cyclohexaneethanamine, N,β-dimethyl-
CYCLEXEDRINE, (+-)-AGJJTKRYTPXPGM-UHFFFAOYSA-N(2-cyclohexylpropyl)(methyl)amineCyclexedrine, (+/-)-2-cyclohexyl-N-methylpropan-1-amineEthylhexedrine; Isopropylhexedrine; N,beta-DimethylcyclohexaneethylamineSCHEMBL308615DTXSID30872050
Database identifiers
- CAS
532-52-5- PubChem CID
- 115663
- DTXSID
DTXSID30872050- UNII
- 4Z1AMN7QRB
- Nikkaji
- J6.988D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 95
Physicochemical properties
- Boiling point
- 90 · 90-91 °C(Press: 12 Torr)
- Density
- 0.844 · 0.844±0.06 g/cm3(Predicted)
- pka
- 10.86 · 10.86±0.20(Predicted)
- FDA UNII
- 4 Z1AMN7QRB · 4Z1AMN7QRB
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Compound notes
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