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| CAS No.: | 13256-06-9 | |
|---|---|---|
| Name: | N,N-Diamylnitrosamine | |
| Molecular Structure: | ||
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| Formula: | C10H22 N2 O | |
| Molecular Weight: | 186.297 | |
| Synonyms: | Dipentylamine,N-nitroso- (6CI,7CI,8CI); Diamylnitrosamine; Dipentylnitrosamine;Dipentylnitrosoamine; N,N-Dipentylnitrosamine; N-Nitrosodi-n-amylamine;N-Nitrosodi-n-pentylamine; N-Nitrosodiamylamine; N-Nitrosodipentylamine; NSC73601 | |
| Density: | 0.91g/cm3 | |
| Boiling Point: | 146 C at 12 mm Hg | |
| Flash Point: | 126.8°C | |
| Solubility: | Toxicity data (The meaning of any toxicologica">
Stability
Toxicology
Toxicity data |
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| Appearance: | colourless to light yellow liquid | |
| Safety: | Moderately toxic by ingestion and subcutaneous routes. Questionable carcinogen with experimental carcinogenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES. | |
Analytical Methods: | For occupational chemical analysis use OSHA: #38. |
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| PSA: | 32.67000 | |
| LogP: | 3.35020 | |
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Chemistry
Molecule structure of Di-n-amylnitrosamine (CAS NO.13256-06-9):
IUPAC Name: N,N-Dipentylnitrous amide
Molecular Weight: 186.29448 g/mol
Molecular Formula: C10H22N2O
Density: 0.91 g/cm3
Boiling Point: 286 °C at 760 mmHg
Flash Point: 126.8 °C
Index of Refraction: 1.46
Molar Refractivity: 56.12 cm3
Molar Volume: 204.5 cm3
Polarizability: 22.24×10-24 cm3
Surface Tension: 31.5 dyne/cm
Enthalpy of Vaporization: 50.4 kJ/mol
Vapour Pressure: 0.00466 mmHg at 25 °C
XLogP3: 3.7
H-Bond Acceptor: 3
Rotatable Bond Count: 8
Exact Mass: 186.173213
MonoIsotopic Mass: 186.173213
Topological Polar Surface Area: 32.7
Heavy Atom Count: 13
Complexity: 108
Canonical SMILES: CCCCCN(CCCCC)N=O
InChI: InChI=1S/C10H22N2O/c1-3-5-7-9-12(11-13)10-8-6-4-2/h3-10H2,1-2H3
InChIKey: OELWBYBVFOLSTA-UHFFFAOYSA-N
Product Categories: All Aliphatics; Aliphatics; Nitric Oxide Reagents
Toxicity Data With Reference
| 1. | mma-sat 465 µg/plate | PNASA6 Proceedings of the National Academy of Sciences of the United States of America. 72 (1975),5135. | ||
| 2. | mma-ham:lng 500 µmol/L | IAPUDO IARC Publications. 27 (1980),179. | ||
| 3. | orl-rat LD50:1750 mg/kg | NATWAY Naturwissenschaften. 48 (1961),134. | ||
| 4. | scu-rat LD50:3000 mg/kg | ZEKBAI Zeitschrift fuer Krebsforschung. 69 (1967),103. |
Consensus Reports
EPA Genetic Toxicology Program.
Safety Profile
Moderately toxic by ingestion and subcutaneous routes. Questionable carcinogen with experimental carcinogenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES.
Analytical Methods:
For occupational chemical analysis use OSHA: #38.
Analytical Methods
For occupational chemical analysis use OSHA: #38.
Specification
Di-n-amylnitrosamine (CAS NO.13256-06-9) is also named as 4-04-00-03390 (Beilstein Handbook Reference) ; BRN 1768102 ; CCRIS 1007 ; Di-N-amylnitrosamine ; Di-N-pentylnitrosamine ; Di-n-pentylnitrosamine ; Diamylnitrosamin ; Diamylnitrosamin [German] ; Diamylnitrosamine ; Dipentylnitrosamine ; Dipentylnitrosoamine ; N,N,-Diamylnitrosamine ; N-Nitrosodi-N-pentylamine ; N-Nitrosodi-n-amylamine ; N-Nitrosodi-n-pentylamine ; NSC 73601 ; Nitrosodi-N-pentylamine . Di-n-amylnitrosamine (CAS NO.13256-06-9) is colourless to light yellow liquid. It is insoluble in water. Di-n-amylnitrosamine (CAS NO.13256-06-9) is a nitrated amine which is combustible. The combustion of amines yields noxious NOx. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Amines in combination with strong reducing agents, such as hydrides can produce flammable gaseous hydrogen. Aromatic nitro compounds range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups.