Basic information
- CAS
38339-23-0- Standard SMILES
CCCC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1- InChIKey
KHXXYLDDCIKREX-UHFFFAOYSA-N- Molecular formula
- C14H22Cl2N2O
- Average molar mass
- 305.2 g/mol
- Monoisotopic mass
- 304.1109187
Names & identifiers
- Preferred name
- Clenhexerol
- IUPAC
- 1-(4-amino-3,5-dichlorophenyl)-2-(2-methylpentan-2-ylamino)ethanol
- English name
- Clenhexerol
- Molecular formula
- C14H22Cl2N2O
- Molecular weight
- 305.24
Names & synonyms
ClenhexerolRefChem:577708632-647-538339-23-01-(4-amino-3,5-dichlorophenyl)-2-[(2-methylpentan-2-yl)amino]ethanol1-(4-amino-3,5-dichlorophenyl)-2-(2-methylpentan-2-ylamino)ethanolBRN 2854445Clenisohexerol4-Amino-3,5-dichloro-a-[[(1,1-dimethylbutyl)amino]methyl]benzenemethanol;4-Amino-3,5-dichloro-alpha-(((1,1-dimethylbutyl)amino)methyl)benzenemethanolBenzenemethanol, 4-amino-3,5-dichloro-alpha-(((1,1-dimethylbutyl)amino)methyl)-DTXSID50959276
Show more names
Benzenemethanol, 4-amino-3,5-dichloro-α-[[(1,1-dimethylbutyl)amino]methyl]-
MSK1369NBA33923AKOS030239965CS-0129956NS000406101-(4-Amino-3,5-dichlorophenyl)-2-[(2-methylpentan-2-yl)amino]ethan-1-ol
Database identifiers
- CAS
38339-23-0- PubChem CID
- 217256
- DTXSID
DTXSID50959276
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Melting point
- 111 · 111 - 113°C
- Boiling point
- 429.6 · 429.6±40.0 °C(Predicted)
- Density
- 1.198 · 1.198±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- pka
- 13.29 · 13.29±0.20(Predicted)
- form
- Solid
- color
- Off-White to Pale Yellow
Chemistry & industry
Applications
UsesA classical β-adrenergic agonist in retina in interlaboratory study.
Suppliers3 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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