Basic information
- CAS
14860-49-2- Standard SMILES
CC(CN(C)C)C(C)(O)Cc1ccc(Cl)cc1- InChIKey
KVHHQGIIZCJATJ-UHFFFAOYSA-N- Molecular formula
- C14H22ClNO
- Average molar mass
- 255.78 g/mol
- Monoisotopic mass
- 255.138992
Overview
1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethyl-2-butanol is a member of benzenes and an organic amino compound.
Names & identifiers
- Preferred name
- Clobutinol
- IUPAC
- 1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol
- English name
- 1,2-Ethanediamine, N-(2-aminoethyl)-, polymer with (chloromethyl)oxirane
- Molecular formula
- C7H18ClN3O
- Molecular weight
- 195.69
Names & synonyms
Clobutinol14860-49-2ClobutinolumIversal1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-olKAT 256 FREE BASEKAT-256 FREE BASE1NY2IX043AR05DB03DTXSID2022838Benzeneethanol, 4-chloro-alpha-(2-(dimethylamino)-1-methylethyl)-alpha-methyl-4-Chloro-alpha(2-(dimethylamino)-1-methylethyl)alpha-methylbenzeneethanol
Show more names
1,2-Ethanediamine, N-(2-aminoethyl)-, polymer with (chloromethyl)oxirane
chlorodimenolclobutinoloRefChem:127011DTXCID902838238-926-4Clobutinol [INN]C14H22ClNOClobutinol (INN)
Database identifiers
- CAS
14860-49-2、25085-17-0- PubChem CID
- 26937
- DTXSID
DTXSID2022838- ChEMBL
CHEMBL1474889- ChEBI
CHEBI:94381- UNII
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 226
Experimental & physicochemical properties
Boiling Point145-148
Physicochemical properties
- Substances Added to Food (formerly EAFUS)
- DIETHYLENETRIAMINE CROSSLINKED WITH EPICHLOROHYDRIN
- EPA Substance Registry System
- 1 · 1,2-Ethanediamine, N-(2-aminoethyl)-, polymer with (chloromethyl)oxirane (25085-17-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Pharmacology
ATC Code
R - Respiratory system
QR - Respiratory system
MeSH Pharmacological ClassificationAgents that suppress cough. They act centrally on the medullary cough center. EXPECTORANTS, also used in the treatment of cough, act locally.
Cellular LocationsMembrane
Suppliers9 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
武汉鹏胤药业有限公司13163333255 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
河北贞佳新材料有限公司0319-5925599 13315915972 · [email protected]
上海立崎生物医学研究中心18014399201 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Shanghai kingmorn biotechnology Co.,Ltd.021-62200788 15000569291 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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