N-(2-(Dimethylamino)ethyl)-N'-ethyl-N-nitrosourea
Basic information
- CAS
142713-74-4- Standard SMILES
CCNC(=O)N(CCN(C)C)N=O- InChIKey
JQWUXQRFTBGVEB-UHFFFAOYSA-N- Molecular formula
- C7H16N4O2
- Average molar mass
- 188.23 g/mol
- Monoisotopic mass
- 188.12732577
Overview
structure given in first source
Names & identifiers
- Preferred name
- N-(2-(Dimethylamino)ethyl)-N'-ethyl-N-nitrosourea
- IUPAC
- 1-[2-(dimethylamino)ethyl]-3-ethyl-1-nitrosourea
- English name
- N,N-dimethylaminoethylnitrosoethylurea
- Molecular weight
- 188.23
Names & synonyms
N,N-DimethylaminoethylnitrosoethylureaDmeneu142713-74-4DTXSID30861363N-(2-(Dimethylamino)ethyl)-N'-ethyl-N-nitrosoureaN-[2-(Dimethylamino)ethyl]-N'-ethyl-N-nitrosoureaRefChem:926663DTXCID90196648Urea, N-(2-(dimethylamino)ethyl)-N'ethyl-N-nitroso-Etrasimod Impurity 641-[2-(DIMETHYLAMINO)ETHYL]-3-ETHYL-1-NITROSOUREA
Database identifiers
- CAS
142713-74-4- PubChem CID
- 3035488
- DTXSID
DTXSID30861363
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Density
- 1.119 · 1.119±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.239 · 12.239±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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