Basic information
- CAS
53198-38-2- Standard SMILES
CC(=O)OCN(N=O)C(C)(C)C- InChIKey
PUIYQGCSRPMBCQ-UHFFFAOYSA-N- Molecular formula
- C7H14N2O3
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.10044231
Names & identifiers
- Preferred name
- Acetic acid, (tert-butylnitrosamino)methyl ester
- IUPAC
- [tert-butyl(nitroso)amino]methyl acetate
- English name
- TERT-BUTYLACETOXYMETHYLNITROSAMINE
- Molecular formula
- C7H14N2O3
- Molecular weight
- 174.2
Names & synonyms
N-tert-Butyl-N-(acetoxymethyl)nitrosamineACETIC ACID, (tert-BUTYLNITROSAMINO)METHYL ESTERBRN 208263653198-38-2N-(Acetoxy)methyl-N-tert-butylnitrosamineN-Nitroso-N-(acetoxy)methyl-N-tert-butylamineDTXSID00201252RefChem:316354DTXCID00123743[tert-butyl(nitroso)amino]methyl acetateTERT-BUTYLACETOXYMETHYLNITROSAMINEAcetic acid (tert-butylnitrosoamino)methyl
Show more names
N-tert-Butyl-N-(acetoxymethyl)nitrosoamineAcetic acid (tert-butylnitrosoamino)methyl esterAcetic acid N-tert-butyl-N-nitrosoaminomethyl esterMethanol, 1-[(1,1-dimethylethyl)nitrosoamino]-, 1-acetate
Database identifiers
- CAS
53198-38-2- PubChem CID
- 40635
- DTXSID
DTXSID00201252- Nikkaji
- J4.388E
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
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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