Basic information
- CAS
72735-15-0- Standard SMILES
CC(C)OC(=O)NCN(C)N=O- InChIKey
QFFKAHWVGUMMGQ-UHFFFAOYSA-N- Molecular formula
- C6H13N3O3
- Average molar mass
- 175.19 g/mol
- Monoisotopic mass
- 175.09569129
Names & identifiers
- Preferred name
- Carbamic acid, ((methylnitrosamino)methyl)-, isopropyl ester
- IUPAC
- propan-2-yl N-[[methyl(nitroso)amino]methyl]carbamate
- English name
- [(N-Nitrosomethylamino)methyl]carbamic acid isopropyl ester
- Molecular formula
- C6H13N3O3
- Molecular weight
- 175.19
Names & synonyms
72735-15-0CARBAMIC ACID, ((METHYLNITROSAMINO)METHYL)-, ISOPROPYL ESTERBRN 2640956DTXSID80223033RefChem:331718DTXCID80145524QFFKAHWVGUMMGQ-UHFFFAOYSA-N((Methylnitrosamino)methyl)carbamic acid isopropyl esterSCHEMBL11490143Propan-2-yl {[methyl(nitroso)amino]methyl}carbamate[(N-Nitrosomethylamino)methyl]carbamic acid isopropyl esterCarbamic acid, [(methylnitrosoamino)methyl]-, 1-methylethyl ester (9CI)
Database identifiers
- CAS
72735-15-0- PubChem CID
- 51679
- DTXSID
DTXSID80223033- Nikkaji
- J69.349I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Boiling point
- 326.2 · 326.2±25.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 11.03 · 11.03±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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