(E)-2-((3,7-Dimethyl-2,6-octadienyl)nitrosoamino)ethanol
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Basic information
- CAS
80324-65-8- Standard SMILES
CC(C)=CCC/C(C)=C/CN(CCO)N=O- InChIKey
MQPLEPMKSZDUTO-KPKJPENVSA-N- Molecular formula
- C12H22N2O2
- Average molar mass
- 226.32 g/mol
- Monoisotopic mass
- 226.16812795
Names & identifiers
- Preferred name
- (E)-2-((3,7-Dimethyl-2,6-octadienyl)nitrosoamino)ethanol
- IUPAC
- N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-(2-hydroxyethyl)nitrous amide
- English name
- (E)-2-((3,7-Dimethyl-2,6-octadienyl)nitrosoamino)ethanol
- Molecular formula
- C12H22N2O2
- Molecular weight
- 226.32
Names & synonyms
80324-65-8(E)-2-((3,7-Dimethyl-2,6-octadienyl)nitrosoamino)ethanolNIOSH/KK7185000Ethanol, 2-((3,7-dimethyl-2,6-octadienyl)nitrosoamino)-, (E)-KK71850000Ethanol, 2-[(3,7-dimethyl-2,6-octadienyl)nitrosoamino]-, (E)- (9CI)
Database identifiers
- CAS
80324-65-8- PubChem CID
- 6440109
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
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Compound notes
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