Basic information
- CAS
70715-91-2- Standard SMILES
CC(=O)OCN(N=O)C(C)C- InChIKey
AYYKWRQRJMXEHP-UHFFFAOYSA-N- Molecular formula
- C6H12N2O3
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.08479225
Names & identifiers
- Preferred name
- Acetic acid, (isopropylnitrosoamino)methyl ester
- IUPAC
- [nitroso(propan-2-yl)amino]methyl acetate
Names & synonyms
ACETIC ACID, (ISOPROPYLNITROSOAMINO)METHYL ESTER70715-91-2[nitroso(propan-2-yl)amino]methyl acetateBRN 2244924N-Isopropyl-N-(acetoxymethyl)nitrosamineN-iso-Propyl-N-(acetoxymethyl)nitrosamineMethanol, ((1-methylethyl)nitrosoamino)-, acetate (ester)DTXSID10220979Methanol, [(1-methylethyl)nitrosoamino]-acetate (ester)
Database identifiers
- CAS
70715-91-2- PubChem CID
- 51152
- DTXSID
DTXSID10220979- Nikkaji
- J86.231B
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 147
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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