Introduction：Basic information about CAS 92071-51-7|Rotraxate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Rotraxate |
|---|
| CAS Number | 92071-51-7 | Molecular Weight | 289.36900 |
|---|
| Density | 1.147g/cm3 | Boiling Point | 488.4ºC at 760mmHg |
|---|
| Molecular Formula | C17H23NO3 | Melting Point | / |
|---|
| MSDS | / | Flash Point | 249.2ºC |
|---|
Names
| Name | 3-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]propanoic acid |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.147g/cm3 |
|---|
| Boiling Point | 488.4ºC at 760mmHg |
|---|
| Molecular Formula | C17H23NO3 |
|---|
| Molecular Weight | 289.36900 |
|---|
| Flash Point | 249.2ºC |
|---|
| Exact Mass | 289.16800 |
|---|
| PSA | 80.39000 |
|---|
| LogP | 3.35190 |
|---|
| Index of Refraction | 1.557 |
|---|
| InChIKey | NVBZUCIQNYPGCI-UHFFFAOYSA-N |
|---|
| SMILES | NCC1CCC(C(=O)c2ccc(CCC(=O)O)cc2)CC1 |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DA8340600
- CHEMICAL NAME :
- Benzenepropanoic acid, 4-((4-(aminomethyl)cyclohexyl)carbonyl)-, trans-
- CAS REGISTRY NUMBER :
- 92071-51-7
- LAST UPDATED :
- 199509
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C17-H23-N-O3
- MOLECULAR WEIGHT :
- 289.41
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >1600 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JKXXAF Japanese Kokai Tokyo Koho Patents. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #91-83912
|
Synonyms
| Benzenepropanoic acid,4-((4-(aminomethyl)cyclohexyl)carbonyl)-,trans |
| p-((trans-4-(Aminomethyl)cyclohexyl)carbonyl)hydrocinnamic acid |
| Rotraxatum |
| trans-4-((4-(Aminomethyl)cyclohexyl)carbonyl)benzenepropanoic acid |
| Rotraxate |
| 3-(p-(trans-4-Aminomethylcyclohexanecarbonyl)phenyl)propionic acid |
| Rotraxato [Spanish] |
| Rotraxatum [Latin] |
| Rotraxate [INN] |
| Rotraxato |
