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Name	Methyl-tert-butylnitrosamine	EINECS	N/A
CAS No.	2504-18-9	Density	0.91g/cm³
PSA	32.67000	LogP	1.39810
Solubility	N/A	Melting Point	22-23 °C
Formula	C15H24 O2	Boiling Point	177.3°Cat760mmHg
Molecular Weight	116.19	Flash Point	61°C
Transport Information	N/A	Appearance	N/A
Safety	Moderately toxic by intraperitoneal and subcutaneous routes. Many nitrosamines are carcinogens. When heated to decomposition it emits toxic fumes of NO_x. See also NITROSAMINES.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	2H-3,9a-Methano-1-benzoxepin-9-methanol,3,4,5,5a,6,7-hexahydro-2,2,5a-trimethyl-, [3R-(3a,5aa,9aa)]-; (+)-Dehydrobaimuxinol;Dehydrobaimuxinol	Article Data	5

Methyl-tert-butylnitrosamine Chemical Properties

Molecule structure of Methyl-tert-butylnitrosamine (CAS NO.2504-18-9):

IUPAC Name: N-tert-Butyl-N-methylnitrous amide
Molecular Weight: 116.16158 g/mol
Molecular Formula: C₅H₁₂N₂O
Density: 0.91 g/cm³
Boiling Point: 177.3 °C at 760 mmHg
Flash Point: 61 °C
Index of Refraction: 1.435
Molar Refractivity: 33.23 cm³
Molar Volume: 127.3 cm³
Polarizability: 13.17×10^-24 cm³
Surface Tension: 27.5 dyne/cm
Enthalpy of Vaporization: 39.66 kJ/mol
Vapour Pressure: 1.41 mmHg at 25 °C
XLogP3: 0.8
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Exact Mass: 116.094963
MonoIsotopic Mass: 116.094963
Topological Polar Surface Area: 32.7
Heavy Atom Count: 8
Complexity: 84.9
Canonical SMILES: CC(C)(C)N(C)N=O
InChI: InChI=1S/C5H12N2O/c1-5(2,3)7(4)6-8/h1-4H3
InChIKey of Methyl-tert-butylnitrosamine (CAS NO.2504-18-9): YDNOESAJRGHRAE-UHFFFAOYSA-N

Methyl-tert-butylnitrosamine Toxicity Data With Reference

1.		ipr-rat LD50:700 mg/kg		BJIMAG British Journal of Industrial Medicine. 19 (1962),276.
2.		scu-rat LD50:630 mg/kg		ZKKOBW Zeitschrift fuer Krebsforschung und Klinische Onkologie. 80 (1973),17.

Methyl-tert-butylnitrosamine Safety Profile

Moderately toxic by intraperitoneal and subcutaneous routes. Many nitrosamines are carcinogens. When heated to decomposition it emits toxic fumes of NO_x. See also NITROSAMINES.

Methyl-tert-butylnitrosamine Specification

Methyl-tert-butylnitrosamine (CAS NO.2504-18-9) is also named as tert-Butylmethylnitrosamine ; BRN 1922546 ; CCRIS 3218 ; Methyl(T-butyl)nitrosamine ; Methyl-t-butylnitrosamine ; t-Butylamine, N-methyl-N-nitroso- .

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