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20917-49-1

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Basic Information
CAS No.: 20917-49-1
Name: N-NITROSOHEPTAMETHYLENEIMINE
Article Data: 1
Molecular Structure:
Molecular Structure of 20917-49-1 (N-NITROSOHEPTAMETHYLENEIMINE)
Formula: C7H14 N2 O
Molecular Weight: 142.201
Synonyms: Heptamethylenimine,1-nitroso- (7CI); N-Nitrosoazacyclooctane; N-Nitrosoheptamethyleneimine
Density: 1.09g/cm3
Melting Point: 28 °C
Boiling Point: 264.6°Cat760mmHg
Flash Point: 113.8°C
Safety: Poison 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 N-NITROSO COMPOUNDS.
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Chemistry

IUPAC Name: 1-Nitrosoazocane
Synonyms of Octahydro-1-nitrosoazocine (CAS NO.20917-49-1): N-Nitrosoazacyclooctane ; N-Nitrosoheptamethyleneimine ; N-Nitrosooktahydroazocin ; NHMI ; Nitroso-heptamethylenimin ; Azocine, octahydro-1-nitroso-
InChI: InChI=1/C7H14N2O/c10-8-9-6-4-2-1-3-5-7-9/h1-7H2
CAS NO: 20917-49-1
Molecular Formula: C7H14N2O
Molecular Weight: 142.1989
Molecular Structure :
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 32.67 Å2
Index of Refraction: 1.532
Molar Refractivity: 40.11 cm3
Molar Volume: 129.3 cm3
Surface Tension: 42 dyne/cm
Density: 1.09 g/cm3
Flash Point: 113.8 °C
Enthalpy of Vaporization: 48.22 kJ/mol
Boiling Point: 264.6 °C at 760 mmHg
Vapour Pressure: 0.0157 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
hamster LD50 subcutaneous 220mg/kg (220mg/kg) BRAIN AND COVERINGS: "CHANGES IN CIRCULATION (HEMORRHAGE, THROMBOSIS, ETC.)"

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS		 JNCI, Journal of the National Cancer Institute. Vol. 61, Pg. 239, 1978.
rat LD50 oral 283mg/kg (283mg/kg) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL"		 Proceedings of the Society for Experimental Biology and Medicine. Vol. 130, Pg. 945, 1969.

Safety Profile

RTECS: CN4900000
Poison by ingestion and subcutaneous routes. Questionable carcinogen with experimental carcinogenic and tumorigenic data. Mutation data reported. When Octahydro-1-nitrosoazocine (CAS NO.20917-49-1) is heated to decomposition ,it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.