3-propan-2-yl-1-oxa-2-aza-3-azoniacyclopenta-2,4-dien-5-olate

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Names

[ CAS No. ]:
6939-17-9

[ Name ]:
3-propan-2-yl-1-oxa-2-aza-3-azoniacyclopenta-2,4-dien-5-olate

[Synonym ]:
Sydnone,3-isopropyl
3-isopropyl-sydnone

Chemical & Physical Properties

[ Molecular Formula ]:
C₅H₈N₂O₂

[ Molecular Weight ]:
128.12900

[ Exact Mass ]:
128.05900

[ PSA ]:
52.97000

[ LogP ]:
0.68680

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: WU7690000

CHEMICAL NAME :: Sydnone, 3-isopropyl-

CAS REGISTRY NUMBER :: 6939-17-9

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C5-H8-N2-O2

MOLECULAR WEIGHT :: 128.15

WISWESSER LINE NOTATION :: T5NNOVJ AY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 488 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 51,1058,1962

Safety Information

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

2-(nitroso-propan-2-yl-amino)acetic acid
(ISOPROPYLAMINO)ACETIC ACID
Glycine,N-(1-methylethyl)-, ethyl ester

DownStream

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%