Molecular Structure of 1-Nitroso-3-nitro-1-pentylguanidine (CAS NO.13010-10-1):
IUPAC: 2-Nitro-1-nitroso-1-pentyl-guanidine
Molecular Formula:C6H13N5O3
Molecular Weight:203.2
EINECS:235-858-7
Density:1.37 g/cm3
Flash Point:148.4oC
Boiling Point:321.7oC at 760 mmHg
SMILES:O=[N+]([O-])N=C(N(N=O)CCCCC)N
InChI:InChI=1/C6H13N5O3/c1-2-3-4-5-10(9-12)6(7)8-11(13)14/h2-5H2,1H3,(H2,7,8)
InChIKey:OKMNBMCHWAWZBL-UHFFFAOYAD
Index of Refraction:1.569
Surface Tension:59.1 dyne/cm
Molar Refractivity:48.5 cm3
Enthalpy of Vaporization:56.35 kJ/mol
Vapour Pressure:0.000293 mmHg at 25oC
1. | mmo-sat 100 nmol/plate | IDZAAW Idengaku Zasshi. Japanese Journal of Genetics. 50 (1975),403. | ||
2. | mmo-esc 5 mg/L | ESKHA5 Eisei Shikenjo Hokoku. Bulletin of the National Hygiene Sciences. 88 (1970),118. | ||
3. | pic-esc 10 mg/L | ESKHA5 Eisei Shikenjo Hokoku. Bulletin of the National Hygiene Sciences. 88 (1970),118. | ||
4. | dnr-smc 2 µmol/well | IDZAAW Idengaku Zasshi. Japanese Journal of Genetics. 50 (1975),403. | ||
5. | cyt-ham:fbr 30 mg/L/24H | MUREAV Mutation Research. 48 (1977),337. | ||
6. | cyt-ham:lng 16 mg/L | GMCRDC Gann Monograph on Cancer Research. 27 (1981),95. |
EPA Genetic Toxicology Program.
Questionable carcinogen with experimental tumorigenic data. Mutation data reported. Many nitroso compounds are carcinogens. When heated to decomposition it emits very toxic fumes of NOx. See also NITROSO COMPOUNDS.
Safty informations about 1-Nitroso-3-nitro-1-pentylguanidine (CAS NO.13010-10-1):
RIDADR:1325
HazardClass:4.1
PackingGroup:III
1-Nitroso-3-nitro-1-pentylguanidine with cas registry number of 13010-10-1 is also known as N'-nitro-N-pentyl-N-nitrosoguanidine ; N-amyl-N'-nitro-N-nitrosoguanidine ; 1-Amyl-3-nitro-1-nitrosoguanidine ; 3-Nitro-1-nitroso-1-pentylguanidine ; N'-Nitro-N-nitroso-N-pentylguanidine . It is used as an organic synthesis intermediate in synthesis of many useful compounds. It is also used in biochemical research.
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