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4-Methyl-4-(N-nitrosomethylamino)-2-pentanone

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Name

4-Methyl-4-(N-nitrosomethylamino)-2-pentanone

EINECS N/A
CAS No. 16339-21-2 Density 1g/cm3
PSA 49.74000 LogP 1.35730
Solubility N/A Melting Point N/A
Formula C7H14 N2 O2 Boiling Point 276.3°Cat760mmHg
Molecular Weight 158.2 Flash Point 120.9°C
Transport Information N/A Appearance N/A
Safety Moderately toxic by ingestion. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS. Risk Codes N/A
Molecular Structure Molecular Structure of 16339-21-2 (4-Methyl-4-(methylnitrosoamino)-2-pentanone) Hazard Symbols N/A
Synonyms

2-Pentanone,4-methyl-4-(methylnitrosamino)- (7CI,8CI)

 

4-Methyl-4-(N-nitrosomethylamino)-2-pentanone Chemical Properties

Product Name: 4-Methyl-4-(N-nitrosomethylamino)-2-pentanone (CAS NO.16339-21-2)


Molecular Formula: C7H14N2O2
Molecular Weight: 158.23g/mol
Mol File: 16339-21-2.mol
Boiling point: 276.3 °C at 760 mmHg
Flash Point: 120.9 °C
Density: 1 g/cm3
Surface Tension: 32.3 dyne/cm
Enthalpy of Vaporization: 51.48 kJ/mol
Vapour Pressure: 0.00485 mmHg at 25°C
XLogP3-AA: 0.5
H-Bond Donor: 0
H-Bond Acceptor: 4
Structure Descriptors of 4-Methyl-4-(N-nitrosomethylamino)-2-pentanone (CAS NO.16339-21-2):
  IUPAC Name: N-methyl-N-(2-methyl-4-oxopentan-2-yl)nitrous amide
  Canonical SMILES: CC(=O)CC(C)(C)N(C)N=O
  InChI: InChI=1S/C7H14N2O2/c1-6(10)5-7(2,3)9(4)8-11/h5H2,1-4H3 
  InChIKey: BUFWFGAUZTUMMV-UHFFFAOYSA-N

4-Methyl-4-(N-nitrosomethylamino)-2-pentanone Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2100mg/kg (2100mg/kg)   Zeitschrift fuer Krebsforschung. Vol. 69, Pg. 103, 1967.

4-Methyl-4-(N-nitrosomethylamino)-2-pentanone Safety Profile

Moderately toxic by ingestion. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.

4-Methyl-4-(N-nitrosomethylamino)-2-pentanone Specification

 4-Methyl-4-(N-nitrosomethylamino)-2-pentanone, its CAS NO. is 16339-21-2, the synonyms are 2-Methylnitrosamino-2-methylpentanon(4) ; 3-04-00-00894 (Beilstein Handbook Reference) ; BRN 1765427 ; Methyl-1,1-dimethylbutanon(3)-nitrosamin ;  2-Pentanone, 4-methyl-4-(N-nitrosomethylamino)- .

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