Basic information
- CAS
38339-14-9- Standard SMILES
CCCCNCC(O)c1cc(Cl)c(N)c(Cl)c1- InChIKey
DZJNVYOLNWBUED-UHFFFAOYSA-N- Molecular formula
- C12H18Cl2N2O
- Average molar mass
- 277.19 g/mol
- Monoisotopic mass
- 276.0796186
Names & identifiers
- Preferred name
- 1-(4-Amino-3,5-dichlorophenyl)-2-(butylamino)ethan-1-ol
- IUPAC
- 1-(4-amino-3,5-dichlorophenyl)-2-(butylamino)ethanol
- English name
- Benzenemethanol, 4-amino-α-[(butylamino)methyl]-3,5-dichloro-
- Molecular formula
- C12H18Cl2N2O
- Molecular weight
- 277.19
Names & synonyms
38339-14-9DTXSID209592681-(4-Amino-3,5-dichlorophenyl)-2-(butylamino)ethan-1-olRefChem:1054271DTXCID8013871521-(4-amino-3,5-dichlorophenyl)-2-(butylamino)ethanolClenbuterol Impurity 15BRN 23788104-Amino-alpha-((butylamino)methyl)-3,5-dichlorobenzenemethanolBenzenemethanol, 4-amino-alpha-((butylamino)methyl)-3,5-dichloro-SCHEMBL11018796Benzenemethanol, 4-amino-α-[(butylamino)methyl]-3,5-dichloro-
Database identifiers
- CAS
38339-14-9- PubChem CID
- 217249
- DTXSID
DTXSID20959268
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Boiling point
- 417.2 · 417.2±40.0 °C(Predicted)
- Density
- 1.251 · 1.251±0.06 g/cm3(Predicted)
- pka
- 13.29 · 13.29±0.20(Predicted)
Chemistry & industry
Suppliers5 total
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
坛墨质检科技股份有限公司19850211281 · [email protected]
石家庄耀博医药科技有限公司15633056635 · [email protected]
深圳瑞恺德生物科技有限公司0755-61348847 17820674378 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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