Methanol, (methylnitramino)-

HCID 119262

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Basic information

CAS: 32818-80-7
Standard SMILES: CN(CO)[N+](=O)[O-]
InChIKey: JHGCGSAFHMIQFX-UHFFFAOYSA-N
Molecular formula: C2H6N2O3
Average molar mass: 106.08 g/mol
Monoisotopic mass: 106.03784205

Names & identifiers

Preferred name: Methanol, (methylnitramino)-
IUPAC: N-(hydroxymethyl)-N-methylnitramide
English name: NitroMethylMethanolaMine
Molecular formula: C2H6N2O3
Molecular weight: 106.08

Names & synonyms

(Methylnitroamino)methanol32818-80-7(Methylnitramino)methanolMethanol, (methylnitramino)-CCRIS 7474Hydroxymethyl-methylnitramineN-NitrohydroxymethylmethylamineMethanol, (methylnitroamino)-BRN 2349445DTXSID80186492RefChem:352507DTXCID90108983

Show more names

Methanol, 1-(methylnitroamino)-

Methanol, (methylnitroamino)-(9CI)NitromethylmethanolamineN-(hydroxymethyl)-N-methylnitramide2-nitro-2-azapropanol2-Nitro-2-aza-1-propanolSCHEMBL77982271-hydroxy-2-nitro-2-azapropaneJHGCGSAFHMIQFX-UHFFFAOYSA-N

Database identifiers

CAS: 32818-80-7
PubChem CID: 119262
DTXSID: DTXSID80186492

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 69.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 67.8

Physicochemical properties

Boiling point: 299.4 · 299.4±23.0 °C(Predicted)
Density: 1.341 · 1.341±0.06 g/cm3(Predicted)
pka: 12.53 · 12.53±0.10(Predicted)

Chemistry & industry

Applications

UsesA metabolite of N-Nitrodimethylamine. This metabolite is mutagenic only to S. typhimurium TA100 at low concentrations and toxic above 2 .mu.mol/plate.