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| Name |
N-(alpha-Acetoxybenzyl)-N-benzylnitrosamine |
EINECS | N/A |
| CAS No. | 70490-99-2 | Density | 1.14g/cm3 |
| PSA | 58.97000 | LogP | 3.43190 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C16H16 N2 O3 | Boiling Point | 468.4°C at 760 mmHg |
| Molecular Weight | 284.34 | Flash Point | 237.1°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES and ESTERS. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Benzenemethanol,a-[nitroso(phenylmethyl)amino]-,acetate (ester) (9CI); NSC 321795 |
N-(alpha-Acetoxybenzyl)-N-benzylnitrosamine Chemical Properties
Molecule structure of N-(alpha-Acetoxybenzyl)-N-benzylnitrosamine (CAS NO.70490-99-2):
IUPAC Name: [[Benzyl(nitroso)amino]-phenylmethyl] acetate
Molecular Weight: 284.30984 g/mol
Molecular Formula: C16H16N2O3
Density: 1.14 g/cm3
Boiling Point: 468.4 °C at 760 mmHg
Flash Point: 237.1 °C
Index of Refraction: 1.565
Molar Refractivity: 81.1 cm3
Molar Volume: 248.8 cm3
Polarizability: 32.15×10-24 cm3
Surface Tension: 43.5 dyne/cm
Enthalpy of Vaporization: 73.05 kJ/mol
Vapour Pressure: 6.02E-09 mmHg at 25 °C
XLogP3-AA: 3.2
H-Bond Acceptor: 5
Rotatable Bond Count: 6
Exact Mass: 284.116092
MonoIsotopic Mass: 284.116092
Topological Polar Surface Area: 59
Heavy Atom Count: 21
Complexity: 336
Canonical SMILES: CC(=O)OC(C1=CC=CC=C1)N(CC2=CC=CC=C2)N=O
InChI: InChI=1S/C16H16N2O3/c1-13(19)21-16(15-10-6-3-7-11-15)18(17-20)12-14-8-4-2-5-9-14/h2-11,16H,12H2,1H3
InChIKey: IMXQCEKDOLZHNU-UHFFFAOYSA-N
N-(alpha-Acetoxybenzyl)-N-benzylnitrosamine Toxicity Data With Reference
| 1. | mmo-sat 100 nmol/plate | CALEDQ Cancer Letters (Shannon, Ireland). 6 (1979),83. | ||
| 2. | msc-ham:lng 10 µmol/L | GANNA2 Gann. Japanese Journal of Cancer Research. 73 (1982),517. |
N-(alpha-Acetoxybenzyl)-N-benzylnitrosamine Safety Profile
Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES and ESTERS.
N-(alpha-Acetoxybenzyl)-N-benzylnitrosamine Specification
N-(alpha-Acetoxybenzyl)-N-benzylnitrosamine (CAS NO.70490-99-2) is also named as Benzenemethanol, alpha-(nitroso(phenylmethyl)amino)-, acetate (ester) ; Dibenzylamine, alpha-acetoxy-N-nitroso- N-Benzyl-N-(alpha-acetoxybenzyl)nitrosamine ; alpha-(Benzylnitrosamino)benzyl alcohol acetate (ester) ; alpha-Acetoxy-N-nitrosodibenzylamine ; Benzyl alcohol, alpha-(benzylnitrosamino)-, acetate (ester) . N-(alpha-Acetoxybenzyl)-N-benzylnitrosamine (CAS NO.70490-99-2) is toxic. It is flammable. It will produce toxic nitrogen oxide fumes by heat. So the storage environment should be ventilate, low-temperature and dry.
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