Basic information
- CAS
16051-48-2- Standard SMILES
O=[N+]([O-])OCCO- InChIKey
HTKIMWYSDZQQBP-UHFFFAOYSA-N- Molecular formula
- C2H5NO4
- Average molar mass
- 107.07 g/mol
- Monoisotopic mass
- 107.02185764
Names & identifiers
- Preferred name
- 1,2-Ethanediol, 1-nitrate
- IUPAC
- 2-hydroxyethyl nitrate
- English name
- 2-hydroxyethyl nitrate
- Molecular formula
- C2H5NO4
- Molecular weight
- 107.07
Names & synonyms
16051-48-2Ethylene glycol mononitrate1,2-Ethanediol, mononitrateEthyleneglycol mononitrate1,2-Ethanediol, 1-nitrateEINECS 240-196-7RefChem:4120232-Hydroxyethyl nitrateNicorandil Impurity 29Ethylene glycol, mononitrate2-(Nitrooxy)ethanolSCHEMBL457560
Show more names
2-(nitrooxy)ethan-1-ol1,2-Ethanediol 1-nitrate
SCHEMBL7266520CHEMBL4172056DTXSID70864656nitric acid 2-hydroxy-ethyl esterDB-251526NS00054226
Database identifiers
- CAS
16051-48-2- PubChem CID
- 85254
- DTXSID
DTXSID70864656- ChEMBL
CHEMBL4172056- EC Number
- 240-196-7
- Nikkaji
- J56.077D
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 57.2
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 95 °C · 95 °C(Press: 8 Torr)
- Density
- 1.3483 g/cm3 · 1.3483 g/cm3(Temp: 29 °C)
- pka
- 13.82 · 13.82±0.10(Predicted)
- Henry's Law Constant
- 3.9 · 3.9×102 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
- EPA Substance Registry System
- Ethylene glycol mononitrate (16051-48-2)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2-Ethanediol, 1-nitrate: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers9 total
Junwee Chemical co., Ltd.+86-571-85808636 +86-13958122542 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Shanghai Zhuangming Biopharma Co., Ltd.+86-2158073036 17312391916 · [email protected]
南通嘉星泰生物科技有限公司18795782766 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
湖南秉航新材料有限公司0731-85567275 19313119732 · [email protected]
Related reactions
4 records
Compound notes
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