Introduction:Basic information about CAS 5587-89-3|3-[[(dimethylamino)methylene]amino]-3-(2,4,6-triiodophenyl)propionic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-[[(dimethylamino)methylene]amino]-3-(2,4,6-triiodophenyl)propionic acid |
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| CAS Number | 5587-89-3 | Molecular Weight | 597.95700 |
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| Density | 2.31g/cm3 | Boiling Point | 579.8ºC at 760mmHg |
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| Molecular Formula | C12H13I3N2O2 | Melting Point | 168-169ºC |
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| MSDS | / | Flash Point | 304.4ºC |
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Names
| Name | 3-(3-{[(Dimethylamino)methylene]amino}-2,4,6-triiodophenyl)propanoic acid hydrochloride |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 2.31g/cm3 |
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| Boiling Point | 579.8ºC at 760mmHg |
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| Melting Point | 168-169ºC |
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| Molecular Formula | C12H13I3N2O2 |
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| Molecular Weight | 597.95700 |
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| Flash Point | 304.4ºC |
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| Exact Mass | 597.81100 |
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| PSA | 52.90000 |
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| LogP | 3.73900 |
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| Index of Refraction | 1.715 |
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| InChIKey | YQNFBOJPTAXAKV-UHFFFAOYSA-N |
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| SMILES | CN(C)C=Nc1c(I)cc(I)c(CCC(=O)O)c1I |
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Toxicological Information
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 DATAACUTE 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
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Safety Information
Customs
| HS Code | 2925290090 |
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| 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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Synonyms
| oragrafin |
| Ipodic acid |
| Iopdate |
| bilopten |
| 3-<2.4.6-Triiod-3-dimethylaminomethylenamino-phenyl>-propionsaeure |
| Ipodat-saeure |
| bilimin acid |