Basic information
- CAS
1854-30-4- Standard SMILES
CC(=O)OCCN- InChIKey
HBVZRPAKZOLBPL-UHFFFAOYSA-N- Molecular formula
- C4H9NO2
- Average molar mass
- 103.12 g/mol
- Monoisotopic mass
- 103.06332853
Overview
O-Acetylethanolamine is a carboxylic ester.
Names & identifiers
- Preferred name
- 2-aminoethyl Acetate
- IUPAC
- 2-aminoethyl acetate
- English name
- O-Acetylethanolamine
- Molecular formula
- C4H9NO2
- Molecular weight
- 103.12
Names & synonyms
2-aminoethyl Acetate1854-30-4DTXSID301315130RefChem:1062239DTXCID801745039O-AcetylethanolamineNicorandil Impurity 372-Acetoxyethylamine2-aminoethylAcetateethane, 1-acetoxy-2-amino-SCHEMBL833987SCHEMBL833988
Show more names
Nicorandil Impurity 44Ethanol, 2-amino-, 1-acetate
orb1991297SCHEMBL10570793SCHEMBL11476210CHEBI:173361HBVZRPAKZOLBPL-UHFFFAOYSA-NAKOS006342370EN300-194181T125510
Database identifiers
- CAS
1854-30-4- PubChem CID
- 112720
- DTXSID
DTXSID301315130- ChEBI
CHEBI:173361- Nikkaji
- J25.558K
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 62.7
Physicochemical properties
- Melting point
- 131 °C · 131 °C
- Boiling point
- 160 · 160-161 °C(Press: 4 Torr)
- Density
- 1.013 · 1.013±0.06 g/cm3(Predicted)
- pka
- 8.3 · 8.30±0.10(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Suppliers20 total
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
泰州葛林美克医药科技有限公司15366892466 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
Guangzhou Tosun Pharmaceutical Limited+86-18124244216 +86-18124244216 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
深圳市星跃生物科技有限公司18124513697; 18124513697 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海前衍生物科技有限公司02781293128 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
Related reactions
1 records
Compound notes
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