Completing data — refresh the page later to see the latest
Basic information
- CAS
56223-91-7- Standard SMILES
CCN(CC)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
HGZRREOJHASMOE-UHFFFAOYSA-N- Molecular formula
- C12H18N4O4
- Average molar mass
- 282.3 g/mol
- Monoisotopic mass
- 282.13280507
Names & identifiers
- Preferred name
- N2-(2,4-Dinitrophenyl)-N1,N1-diethyl-1,2-ethanediamine
- IUPAC
- N-(2,4-dinitrophenyl)-N',N'-diethylethane-1,2-diamine
- English name
- N,N-Diethyl-N'-(2,4-dinitrophenyl)-ethylenediamine
- Molecular formula
- C12H18N4O4
- Molecular weight
- 282.3
Names & synonyms
56223-91-7ANILINE, N-(2-(DIETHYLAMINO)ETHYL)-2,4-DINITRO-DTXSID40204787N2-(2,4-Dinitrophenyl)-N1,N1-diethyl-1,2-ethanediamineRefChem:1092196DTXCID70127278N-(2,4-dinitrophenyl)-N',N'-diethylethane-1,2-diamineN-(Diethylaminoethyl)-2,4-dinitroanilineBRN 2818037AI3-62292NSC85867{2-[(2,4-dinitrophenyl)amino]ethyl}diethylamine
Show more names
N,N-Diethyl-N'-(2,4-dinitrophenyl)-ethylenediamineN,N-Diethyl-N'-(2,4-dinitrophenyl)-ethylenediamineN′-(2,4-Dinitrophenyl)-N,N-diethylethane-1,2-diamine1,2-Ethanediamine, N2-(2,4-dinitrophenyl)-N1,N1-diethyl-
Oprea1_114976CBDivE_0059803-12-00-01699 (Beilstein Handbook Reference)93098-75-0SCHEMBL1594633Ethylenediamine, N'-(2,4-dinitrophenyl)-N,N-diethyl-N'-(2,4-dinitrophenyl)-N,N-diethyl-1,2-ethanediamineN'-(2,4-dinitrophenyl)-N,N-diethylethane-1,2-diamine
Database identifiers
- CAS
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Melting point
- 94 °C · 94 °C(Solv: ethanol (64-17-5))
- Boiling point
- 428.1 · 428.1±45.0 °C(Predicted)
- Density
- 1.269 · 1.269±0.06 g/cm3(Predicted)
- solubility
- Dichloromethane;
- pka
- 9.85 · 9.85±0.25(Predicted)
- form
- Solid
- color
- Yellow
Chemistry & industry
Applications
UsesN2-(2,4-Dinitrophenyl)-N1,N1-diethyl-1,2-ethanediamine is an intermediate in synthesizing Clonitazene (C587135). It is an opioid analgesic of approximately three times the potency of morphine. It is used in opioid agonist/antagonist combinations for treatment of opioid receptor mediated diseases such as depression and pain.
Upstream & downstream products
Downstream products
Suppliers3 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
哈辉（上海）医药技术有限公司021-13472633-721 13472633721 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
Related reactions
2 records
Compound notes
Loading…