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Product Name: 3-[[(dimethylamino)methylene]amino]-3-(2,4,6-triiodophenyl)propionic acid
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5587-89-3

5587-89-3 structure

5587-89-3 structure

Name: 3-[[(dimethylamino)methylene]amino]-3-(2,4,6-triiodophenyl)propionic acid
Chemical Name: 3-(3-{[(Dimethylamino)methylene]amino}-2,4,6-triiodophenyl)propanoic acid hydrochloride
CAS Number: 5587-89-3
Molecular Formula: C₁₂H₁₃I₃N₂O₂
Molecular Weight: 597.95700
Catalog: Chemical reagent Organic reagent Imine, hydrazine
Create Date: 2018-06-05 08:00:00
Modify Date: 2025-08-26 10:36:43

Name	3-(3-{[(Dimethylamino)methylene]amino}-2,4,6-triiodophenyl)propanoic acid hydrochloride
Synonyms	oragrafin Ipodic acid Iopdate bilopten 3-<2.4.6-Triiod-3-dimethylaminomethylenamino-phenyl>-propionsaeure Ipodat-saeure bilimin acid

Density	2.31g/cm3
Boiling Point	579.8ºC at 760mmHg
Melting Point	168-169ºC
Molecular Formula	C₁₂H₁₃I₃N₂O₂
Molecular Weight	597.95700
Flash Point	304.4ºC
Exact Mass	597.81100
PSA	52.90000
LogP	3.73900
Index of Refraction	1.715

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MW5160000

CHEMICAL NAME :: Hydrocinnamic acid, 3-(((dimethylamino)methylene)amino)-2,4,6-triiodo-

CAS REGISTRY NUMBER :: 5587-89-3

LAST UPDATED :: 199712

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C12-H13-I3-N2-O2

MOLECULAR WEIGHT :: 597.97

WISWESSER LINE NOTATION :: QV2R BI DI FI CNU1N1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1030 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Blood - other changes

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 14,232,1969

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 300 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Blood - other changes

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 14,232,1969

HS Code	2925290090

1206-91-3 structure

1206-91-3

68-12-2 structure

68-12-2

~%

5587-89-3 structure

5587-89-3

Literature: Cassebaum,H.; Dierbach,K. Pharmazie, 1961 , vol. 16, p. 389 - 395

Precursor 2
1206-91-3 68-12-2
DownStream 0

HS Code	2925290090
Summary	2925290090 other imines and their derivatives; salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

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