Basic information
- CAS
3703-79-5- Standard SMILES
CCCCNCC(O)c1ccc(O)cc1- InChIKey
RDUHXGIIUDVSHR-UHFFFAOYSA-N- Molecular formula
- C12H19NO2
- Average molar mass
- 209.28 g/mol
- Monoisotopic mass
- 209.14157885
Overview
was heading 1963-94; BUTYLNORSYNEPHRIN was see BAMETHAN 1977-94; use ETHANOLAMINES to search BAMETHAN 1966-94
Names & identifiers
- Preferred name
- Bamethan
- IUPAC
- 4-[2-(butylamino)-1-hydroxyethyl]phenol
- English name
- bamethan
- Molecular formula
- C12H19NO2
- Molecular weight
- 209.28
Names & synonyms
Bamethan3703-79-5BamethaneN-ButylnorsynephrineBamethanumbametan4-[2-(Butylamino)-1-hydroxyethyl]phenolBametano2-Butylamino-1-p-hydroxyphenylethanol1-(p-Hydroxyphenyl)-2-butylaminoethanolDTXSID50461441-(4-Hydroxyphenyl)-1-hydroxy-2-butylaminoethane
Show more names
ButedrineBamethancdl-BamethaneButylsympatolN-ButyloctopamineRacemic bamethaneButylnorsynephrine
Y08ZFJ9TFKBenzenemethanol, alpha-((butylamino)methyl)-4-hydroxy-DTXCID30261444-(2-(butylamino)-1-hydroxyethyl)phenolbutylnorsynephrinN-butylnorsympathoneRefChem:116413CHEBI:37936
Database identifiers
- CAS
3703-79-5- PubChem CID
- 2292
- DTXSID
DTXSID5046144- ChEMBL
CHEMBL1987462- UNII
- Y08ZFJ9TFK
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 156
Experimental & physicochemical properties
Human DrugsPharmaceuticals
Physicochemical properties
- Melting point
- 123.5 · 123.5-125°
- Boiling point
- 348.66 °C · 348.66°C (rough estimate)
- Density
- 1.0423 · 1.0423 (rough estimate)
- refractive index
- 1.4596 · 1.4596 (estimate)
- pka
- 9.97 · 9.97±0.26(Predicted)
- FDA UNII
- 8 ZFJ9TFK · Y08ZFJ9TFK
Chemistry & industry
Pharmacology
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
MeSH Pharmacological ClassificationDrugs used to cause dilation of the blood vessels.
Uses & manufacturing
Use ClassificationPharmaceuticals
Applications
UsesVasodilator.
Suppliers6 total
上海陶术生物科技股份有限公司13564774135 · [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]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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