Molecule structure of Methylhydroxylamine (CAS NO.593-77-1) :
IUPAC Name: N-methylhydroxylamine
Molecular Weight: 47.0565 g/mol
Molecular Formula: CH5NO
Density: 0.916 g/cm3
Melting Point: 87.5 deg C
Boiling Point: 69.4 °C at 760 mmHg
Flash Point: 41.9 °C
Index of Refraction: 1.376
Molar Refractivity: 11.81 cm3
Molar Volume: 51.3 cm3
Polarizability: 4.68*10-24 cm3
Surface Tension: 26.5 dyne/cm
Enthalpy of Vaporization: 36.27 kJ/mol
Vapour Pressure: 96.6 mmHg at 25 °C
pKa Dissociation Constant: 5.96
log P (octanol-water): -0.760
Water Solubility: 5.99E+05 mg/L
Henry's Law Constant: 1.52E-08 atm-m3/mole
Atmospheric OH Rate Constant: 6.43E-11 cm3/molecule-sec
XLogP3-AA: -0.7
H-Bond Donor: 2
H-Bond Acceptor: 2
Exact Mass: 47.037114
MonoIsotopic Mass: 47.037114
Topological Polar Surface Area: 32.3
Heavy Atom Count: 3
Complexity: 4.8
Canonical SMILES: CNO
InChI: InChI=1S/CH5NO/c1-2-3/h2-3H,1H3
InChIKey of Methylhydroxylamine (CAS NO.593-77-1) : CPQCSJYYDADLCZ-UHFFFAOYSA-N
1. | mmo-bcs 1 mol/L | MUREAV Mutation Research. 4 (1967),517. | ||
2. | oms-bcs 10 mmol/L | MUREAV Mutation Research. 4 (1967),517. | ||
3. | cyt-mus:emb 50 µmol/L | JNCIAM Journal of the National Cancer Institute. 32 (1964),667. | ||
4. | cyt-ham:oth 50 µmol/L | JNCIAM Journal of the National Cancer Institute. 32 (1964),667. | ||
5. | ipr-mus LDLo:188 mg/kg | JNCIAM Journal of the National Cancer Institute. 32 (1964),667. |
EPA Genetic Toxicology Program.
Poison by intraperitoneal route. Probably a severe irritant to the eyes, skin, and mucous membranes. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also AMINES.
Methylhydroxylamine (CAS NO.593-77-1) is also called 4-04-00-03299 (Beilstein Handbook Reference) ; BRN 1730792 ; N-Hydroxymethylamine ; N-Methylhydroxylamine ; NCI-C60066 ; n-Methylhydroxylamine ; Hydroxylamine, N-methyl- ; Methanamine, N-hydroxy- (9CI) .
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