Dihexylnitrosamine
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Basic information
- CAS
6949-28-6- Standard SMILES
CCCCCCN(CCCCCC)N=O- InChIKey
KWAGGQMMLIYQAU-UHFFFAOYSA-N- Molecular formula
- C12H26N2O
- Average molar mass
- 214.35 g/mol
- Monoisotopic mass
- 214.20451346
Names & identifiers
- Preferred name
- Dihexylnitrosamine
- IUPAC
- N,N-dihexylnitrous amide
- English name
- N-NITROSODI-N-HEXYLAMINE
- Molecular formula
- C12H26N2O
- Molecular weight
- 214.35
Names & synonyms
DihexylnitrosamineDIHEXYLAMINE, N-NITROSO-Nitrosodi-N-hexylamine1,1-Dihexyl-2-oxohydrazineBRN 1774714DTXSID402197154-04-00-03391 (Beilstein Handbook Reference)RefChem:133672DTXCID90142206KWAGGQMMLIYQAU-UHFFFAOYSA-N6949-28-6N-Nitrosodi-n-hexylamine
Show more names
NDHAn-nitroso-dihexylamin
N-Nitroso-di-n-hexylamineN,N-dihexylnitrous amideN-NitrosodihexylamineDihexylnitrosoamineDi-n-Hexylnitrosamine1-Hexanamine, N-hexyl-N-nitroso-N,N-Di-n-hexylnitrosamineNSC 18800
Database identifiers
- CAS
6949-28-6- PubChem CID
- 23377
- DTXSID
DTXSID40219715- UNII
- 67CG8J4RYP
- Nikkaji
- J105.268C
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 128
Experimental & physicochemical properties
SpringerMaterials PropertiesSurface tension
Physicochemical properties
- Boiling point
- 115 · 115-120°C @ 1mm Hg
- Density
- 0.9 · 0.90±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- pka
- -2.8 · -2.80±0.70(Predicted)
- color
- Colourless to Pale Yellow
- CAS DataBase Reference
- 6949 · 6949-28-6
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 67 CG8J4RYP · 67CG8J4RYP
Chemistry & industry
Applications
UsesN-Nitroso-di-N-hexylamine is used in the nitrosation of dialkylamines in the presence of bile acid conjugates.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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