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Basic Information
CAS No.: 42579-28-2
Name: 1-Nitrosohydantoin
Molecular Structure:
Molecular Structure of 42579-28-2 (1-Nitrosohydantoin)
Formula: C3H3N3O3
Molecular Weight: 129.075
Synonyms: 1-nitroso-2,4-imidazolidinedione;NHYD;2,4-Imidazolidinedione,1-nitroso;1-Nitrosohydantoin;Hydantoin,1-nitroso;
Density: 2.01g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Moderately toxic by intraperitoneal route. Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. Many nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also NITROSO COMPOUNDS.
PSA: 82.33000
LogP: -0.56660
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Chemistry

Product Name: 1-Nitrosohydantoin 
CAS Registry Number: 42579-28-2 
Synonyms: 1-Nitrosohydantoin ; NHYD ; 2,4-Imidazolidinedione, 1-nitroso- ; Hydantoin, 1-nitroso-
IUPAC Name: 1-nitrosoimidazolidine-2,4-dione 
Molecular Weight: 129.07422 [g/mol]
Molecular Formula: C3H3N3O3
XLogP3-AA: -1.2
H-Bond Donor: 1
H-Bond Acceptor: 4
Surface Tension: 106.4 dyne/cm
Density: 2.01 g/cm3 
Following is the molecular structure of 1-Nitrosohydantoin (CAS NO.42579-28-2) is:

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 470mg/kg (470mg/kg)   JNCI, Journal of the National Cancer Institute. Vol. 62, Pg. 1523, 1979.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Moderately toxic by intraperitoneal route. Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. Many nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also NITROSO COMPOUNDS.

Specification

Descriptors computed from structure, you can know some information about 1-Nitrosohydantoin (CAS NO.42579-28-2) :9
Canonical SMILES: C1C(=O)NC(=O)N1N=O
InChI: InChI=1S/C3H3N3O3/c7-2-1-6(5-9)3(8)4-2/h1H2,(H,4,7,8)
InChIKey: UIDGJTUNLMQGLT-UHFFFAOYSA-N