N-Nitrosobis(2-acetoxypropyl)amine
Basic information
- CAS
60414-81-5- Standard SMILES
CC(=O)OC(C)CN(CC(C)OC(C)=O)N=O- InChIKey
VGURJTTWZISZJM-UHFFFAOYSA-N- Molecular formula
- C10H18N2O5
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.12157168
Names & identifiers
- Preferred name
- N-Nitrosobis(2-acetoxypropyl)amine
- IUPAC
- 1-[2-acetyloxypropyl(nitroso)amino]propan-2-yl acetate
- English name
- N-nitrosobis(2-acetoxypropyl)amine
- Molecular formula
- C10H18N2O5
- Molecular weight
- 246.26
Names & synonyms
N-Nitrosobis(2-acetoxypropyl)amine60414-81-52-Propanol, 1,1'-(N-nitrosoimino)di-, diacetateSKV9FH47K7RefChem:163979CCRIS 2014Bis(2-acetoxypropyl)nitrosamine2-Propanol, 1,1'-(nitrosoimino)bis-, diacetate (ester)DTXSID20975822DB-298804(Nitrosoazanediyl)di(propane-1,2-diyl) diacetate1,1'-(Nitrosoimino)bis(2-propanol acetate)
Show more names
2-Propanol, 1,1'-(nitrosoimino)bis-, diacetate (ester) (9CI)
Database identifiers
- CAS
60414-81-5- PubChem CID
- 91675
- DTXSID
DTXSID20975822- UNII
- SKV9FH47K7
- Nikkaji
- J69.783D
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Boiling point
- 389.26 °C · 389.26°C (rough estimate)
- Density
- 1.243 · 1.2430 (rough estimate)
- refractive index
- 1.455 · 1.4550 (estimate)
- Toxicity
- 1 mg/palte · mma-sat 1 mg/palte CRNGDP 6,415,85
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- mma-sat 1 mg/palte CRNGDP 6,415,85
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Related reactions
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Compound notes
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