Basic information
- Standard SMILES
CNCCc1ccc(O)c(O)c1- InChIKey
NGKZFDYBISXGGS-UHFFFAOYSA-N- Molecular formula
- C9H13NO2
- Average molar mass
- 167.2 g/mol
- Monoisotopic mass
- 167.09462866
Overview
Epinine is a catecholamine. It is a conjugate base of an epinine cation.
Names & identifiers
- Preferred name
- Epinine
- IUPAC
- 4-[2-(methylamino)ethyl]benzene-1,2-diol
- English name
- N-2-(3,4-dihydroxyphenyl)ethylmethylamine
- Molecular formula
- C9H13NO2
- Molecular weight
- 167.21
Names & synonyms
epininedeoxyepinephrine501-15-5DesoxyepinephrineDeoxyadrenalineEpyamineEpininDeoxyephinephrine1,2-Benzenediol, 4-(2-(methylamino)ethyl)-R7339QLN1CDTXSID101982054-(2-Methylamino-ethyl)-benzene-1,2-diol
Show more names
4-[2-(methylamino)ethyl]benzene-1,2-diolN-MethyldopamineEpinine HydroiodideAdrenaline Impurity 14Deoxyepinephrine SulfateAdrenaline Impurity 14 Monomer4-(2-methylaminoethyl)pyrocatechol4-[2-(methylamino)ethyl]-1,2-benzenediol
3,4-dihydroxy-N-methylphenethylamineN-methyl-3,4-dihydroxyphenethylamine1-(3,4-dihydroxyphenyl)-2-methylaminoethane1,2-Benzenediol, 4-[2-(methylamino)ethyl]-DesoxyadrenalineRefChem:34641DTXCID00120696207-919-8
Database identifiers
- CAS
501-15-5- PubChem CID
- 4382
- DTXSID
DTXSID10198205- ChEMBL
CHEMBL31088- ChEBI
CHEBI:10554- UNII
- R7339QLN1C
- EC Number
- 207-919-8
- Nikkaji
- J6.117D
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 130
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Melting Point188 - 189 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 188 · 188-189°
- Boiling point
- 295.79 °C · 295.79°C (rough estimate)
- Density
- 1.1222 · 1.1222 (rough estimate)
- refractive index
- 1.468 · 1.4680 (estimate)
- pka
- 9.65 · 9.65±0.10(Predicted)
- FDA UNII
- 7339 QLN1C · R7339QLN1C
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Suppliers18 total
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
北京康派森医药科技有限公司010-010-52878169 15801002657 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
BOC Sciences16314854226 · [email protected]
石家庄耀博医药科技有限公司15633056635 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
青岛浩海安杰医药科技有限公司156-6622-8711 18639325623 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
广州市震霖医药科技有限公司18102736234 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Additional notes
DefinitionChEBI: Epinine is a catecholamine.
Related reactions
2 records
Linked notes
Loading…