Ethanamine, N-(2,2-diethoxyethyl)-2,2-diethoxy-N-nitroso-
Basic information
- CAS
67856-67-1- Standard SMILES
CCOC(CN(CC(OCC)OCC)N=O)OCC- InChIKey
CLLVHWHUSNPTPA-UHFFFAOYSA-N- Molecular formula
- C12H26N2O5
- Average molar mass
- 278.35 g/mol
- Monoisotopic mass
- 278.18417193
Names & identifiers
- Preferred name
- Ethanamine, N-(2,2-diethoxyethyl)-2,2-diethoxy-N-nitroso-
- IUPAC
- N,N-bis(2,2-diethoxyethyl)nitrous amide
- English name
- N,N-bis(2,2-diethoxyethyl)nitrous amide
- Molecular formula
- C12H26N2O5
- Molecular weight
- 278.35
Names & synonyms
N-(2,2-Diethoxyethyl)-2,2-diethoxy-N-nitrosoethanamine67856-67-1Ethanamine, N-(2,2-diethoxyethyl)-2,2-diethoxy-N-nitroso-DTXSID50218097RefChem:591431DTXCID70140588Ethanamine, N(2,2diethoxyethyl)2,2diethoxyNnitrosoN,N-bis(2,2-diethoxyethyl)nitrous amideCHEMBL164972nitrosobis-(2,2-diethoxyethyl)-amine
Database identifiers
- CAS
67856-67-1- PubChem CID
- 93369
- DTXSID
DTXSID50218097- ChEMBL
CHEMBL164972
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 188
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrosamines
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee NITROSAMINES.
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Related reactions
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Compound notes
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