Basic information
- CAS
1477-63-0- Standard SMILES
CNCC(O)c1cccc(O)c1- InChIKey
SONNWYBIRXJNDC-UHFFFAOYSA-N- Molecular formula
- C9H13NO2
- Average molar mass
- 167.2 g/mol
- Monoisotopic mass
- 167.09462866
Overview
3-[1-Hydroxy-2-(methylamino)ethyl]phenol is a member of phenols.
Names & identifiers
- Preferred name
- 3-Hydroxy-alpha-((methylamino)methyl)benzenemethanol
- IUPAC
- 3-[1-hydroxy-2-(methylamino)ethyl]phenol
- English name
- (±)-3-hydroxy-alpha-[(methylamino)methyl]benzyl alcohol
- Molecular formula
- C9H13NO2
- Molecular weight
- 167.21
Names & synonyms
1477-63-0(+-)-PhenylephrineRH8FKZ05H0DTXSID20859037RefChem:1067970DTXCID201966713-Hydroxy-alpha-((methylamino)methyl)benzenemethanol3-[1-Hydroxy-2-(methylamino)ethyl]phenoldl-Mesatonedl-PhenylephrineR,S-Phenylephrine(R)-Phenylephrine-d3
Show more names
Phenylephrine impurity Hm-HydroxyphenylmethylaminoethanolIsoptin hydrochloride EP impurity BEtidofen hydrochloride EP impurity BEtilefrine hydrochloride EP Impurity B1-(3-Hydroxyphenyl)-2-(N-methylamino)ethanolm-Hydroxy-a-[(methylamino)methyl]benzyl alcohol3-Hydroxy-a-[(methylamino)methyl]benzenemethanol
(+/-)-phenylephrine3-(1-hydroxy-2-(methylamino)ethyl)phenolBenzenemethanol, 3-hydroxy-a-[(methylamino)methyl]-1-(3-hydroxyphenyl)-2-(methylamino)ethan-1-ol(+-)-Neosynephrine(R)-3-Hydroxy-alpha-[(methylamino)methyl]benzenemethanol hydrochloride88694-06-8EINECS 216-034-6
Database identifiers
- CAS
1477-63-0- PubChem CID
- 4782
- DTXSID
DTXSID20859037- ChEMBL
CHEMBL31457- ChEBI
CHEBI:182853- UNII
- RH8FKZ05H0
- EC Number
- 216-034-6
- Nikkaji
- J28.485H
Properties
Computed structural properties
- XLogP
- -0.3
- 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
Human DrugsPharmaceuticals
Physicochemical properties
- pka
- 9.48 · pKa 9.48/9.71(H2O,t =20.0±0.1,I=0.16) (Uncertain)
- Boiling point
- 341.1 · 341.1±27.0 °C(Predicted)
- Density
- 1.159 · 1.159±0.06 g/cm3(Predicted)
- Melting point
- 115 · 115-120 °C(Solv: ligroine (8032-32-4))
- FDA UNII
- 8 FKZ05H0 · RH8FKZ05H0
- Toxicity
- 50 subcutaneous · LD50 subcutaneous in mouse: 800mg/kg
Safety & regulation
Safety data
- Toxicity
- LD50 subcutaneous in mouse: 800mg/kg
Chemistry & industry
Uses & manufacturing
Use ClassificationPharmaceuticals
Upstream & downstream products
Downstream products
Suppliers16 total
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
武汉壹加壹生物科技有限公司027-027-16602739303 16602739303 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
南雄市普强生物科技有限公司15702096460 13602449734 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
北京爱科姆科技有限公司17710328343 · [email protected]
广州佳途科技股份有限公司020-81960175-877 18933936954 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
深圳瑞恺德生物科技有限公司0755-61348847 17820674378 · [email protected]
湖北省法码斯生物科技有限公司027-19050701 13545374703 · [email protected]
广州奥司汀生物技术有限公司15918640830 13268843209 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Additional notes
DefinitionChEBI: 3-[1-Hydroxy-2-(methylamino)ethyl]phenol is a member of phenols.
Related reactions
2 records
Compound notes
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