N-Nitroso(1-acetoxyethyl)cyclopropylamine
Basic information
- CAS
91254-59-0- Standard SMILES
CC(=O)OC(C)N(N=O)C1CC1- InChIKey
CXDATTIAKXMIII-UHFFFAOYSA-N- Molecular formula
- C7H12N2O3
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.08479225
Names & identifiers
- Preferred name
- N-Nitroso(1-acetoxyethyl)cyclopropylamine
- IUPAC
- 1-[cyclopropyl(nitroso)amino]ethyl acetate
- English name
- Acetic acid, 1-(cyclopropylnitrosamino)ethyl ester
- Molecular formula
- C7H12N2O3
- Molecular weight
- 172.18
Names & synonyms
91254-59-0N-Nitroso(1-acetoxyethyl)cyclopropylamine1-[cyclopropyl(nitroso)amino]ethyl acetateAcetic acid, 1-(cyclopropylnitrosamino)ethyl esterBRN 5255118Ethanol, 1-(cyclopropylnitrosoamino)-, acetate (ester)DTXSID30919873AKOS006278997Ethanol, 1-(cyclopropylnitrosoamino)-, 1-acetate
Database identifiers
- CAS
91254-59-0- PubChem CID
- 150327
- DTXSID
DTXSID30919873- Nikkaji
- J79.209H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Boiling point
- 295.5 · 295.5±19.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- -7.61 · -7.61±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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