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| Name |
N-(1-Butyroxymethyl)methylnitrosamine |
EINECS | N/A |
| CAS No. | 67557-56-6 | Density | 1.11g/cm3 |
| PSA | 58.97000 | LogP | 0.90040 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H12N2O3 | Boiling Point | 267.5°Cat760mmHg |
| Molecular Weight | 160.20 | Flash Point | 115.6°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by ingestion. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
BUTYRIC ACID,METHYLNITROSAMINO METHYL ESTER; |
N-(1-Butyroxymethyl)methylnitrosamine Chemical Properties
Molecule structure of N-(1-Butyroxymethyl)methylnitrosamine (CAS NO.67557-56-6):
IUPAC Name: [Methyl(nitroso)amino]methyl butanoate
Molecular Weight: 160.17108 g/mol
Molecular Formula: C6H12N2O3
Density: 1.11 g/cm3
Boiling Point: 267.5 °C at 760 mmHg
Flash Point: 115.6 °C
Index of Refraction: 1.467
Molar Refractivity: 39.92 cm3
Molar Volume: 143.8 cm3
Polarizability: 15.82×10-24 cm3
Surface Tension: 37.2 dyne/cm
Enthalpy of Vaporization: 50.55 kJ/mol
Vapour Pressure: 0.00814 mmHg at 25 °C
XLogP3-AA: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 5
Exact Mass: 160.084792
MonoIsotopic Mass: 160.084792
Topological Polar Surface Area: 59
Heavy Atom Count: 11
Complexity: 138
Canonical SMILES: CCCC(=O)OCN(C)N=O
InChI: InChI=1S/C6H12N2O3/c1-3-4-6(9)11-5-8(2)7-10/h3-5H2,1-2H3
InChIKey: QYSCDYCXQPWICC-UHFFFAOYSA-N
N-(1-Butyroxymethyl)methylnitrosamine Toxicity Data With Reference
| 1. | mmo-sat 1 µmol/plate | ARTODN Archives of Toxicology. 39 (1977),51. | ||
| 2. | orl-rat LD50:800 mg/kg | ZKKOBW Zeitschrift fuer Krebsforschung und Klinische Onkologie. 91 (1978),317. |
N-(1-Butyroxymethyl)methylnitrosamine Safety Profile
Moderately toxic by ingestion. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES.
N-(1-Butyroxymethyl)methylnitrosamine Specification
N-(1-Butyroxymethyl)methylnitrosamine (CAS NO.67557-56-6) is also named as Methylamine, N-(1-butyroxymethyl)-N-nitroso- ; N-Nitroso-N-(1-butyroxymethyl)methyl amine ; Butyric acid, methylnitrosamino methyl ester . N-(1-Butyroxymethyl)methylnitrosamine (CAS NO.67557-56-6) is toxic. It will produce toxic nitrogen oxide fumes by heat. So the storage environment should be ventilate, low-temperature and dry.
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