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Basic Information
CAS No.: 593-77-1
Name: N-Methylhydroxylamine
Molecular Structure:
Molecular Structure of 593-77-1 (N-Methylhydroxylamine)
Formula: CH5 N O
Molecular Weight: 47.0568
Synonyms: Hydroxylamine,N-methyl- (6CI,7CI,8CI); Methylhydroxylamine; N-Hydroxymethanamine;N-Hydroxymethylamine; N-Methylhydroxyamine; N-Methylhydroxylamine; b-Methylhydroxylamine
Density: 1.0003
Melting Point: 87.5°C
Boiling Point: 55.67°C (rough estimate)
Safety: 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.
PSA: 32.26000
LogP: -0.01410
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Chemistry

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

Toxicity Data With Reference

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.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

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.

Specification

 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) .