Introduction：Basic information about CAS 1078-21-3|Phenibut, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Phenibut |
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| CAS Number | 1078-21-3 | Molecular Weight | 215.677 |
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| Density | / | Boiling Point | / |
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| Molecular Formula | C10H14ClNO2 | Melting Point | 194.0-202.0°C |
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| MSDS | / | Flash Point | / |
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Names
| Name | 4-Amino-3-phenylbutyric acid hydrochloride |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Melting Point | 194.0-202.0°C |
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| Molecular Formula | C10H14ClNO2 |
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| Molecular Weight | 215.677 |
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| Exact Mass | 215.071304 |
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| PSA | 63.32000 |
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| LogP | 2.70590 |
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| InChIKey | DAFOCGYVTAOKAJ-UHFFFAOYSA-N |
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| SMILES | NCC(CC(=O)O)c1ccccc1 |
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| Storage condition | -20℃ |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- ES7175000
- CHEMICAL NAME :
- Butyric acid, 4-amino-3-phenyl-
- CAS REGISTRY NUMBER :
- 1078-21-3
- BEILSTEIN REFERENCE NO. :
- 2804903
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C10-H13-N-O2
- MOLECULAR WEIGHT :
- 179.24
- WISWESSER LINE NOTATION :
- Z1YR&1VQ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human
- DOSE/DURATION :
- 5 mg/kg
- TOXIC EFFECTS :
- Behavioral - sleep Behavioral - somnolence (general depressed activity) Behavioral - hallucinations, distorted perceptions
- REFERENCE :
- BEXBAN Bulletin of Experimental Biology and Medicine (English Translation). Translation of BEBMAE. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) V.41- 1956- Volume(issue)/page/year: 57,52,1964
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 700 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BEXBAN Bulletin of Experimental Biology and Medicine (English Translation). Translation of BEBMAE. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) V.41- 1956- Volume(issue)/page/year: 57,52,1964
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 900 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BEXBAN Bulletin of Experimental Biology and Medicine (English Translation). Translation of BEBMAE. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) V.41- 1956- Volume(issue)/page/year: 57,52,1964
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Safety Information
| Hazard Codes | Xi |
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| HS Code | 2922499990 |
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Customs
| HS Code | 2922499990 |
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| Summary | HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0% |
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Synonyms
| Benzenepropanoic acid, β-(aminomethyl)-, hydrochloride (1:1) |
| 4-Amino-3-phenylbutanoic acid hydrochloride (1:1) |
| 4-Amino-3-phenylbutyric acid Hcl |
| fenigam |
| phenylgam |
| Phenybut |
| phenigam |
| fenigama |
| EINECS 214-079-6 |
| pgaba |
| PHENIBUT |
| UNII:625240H2LN |
| MFCD00456233 |
| FENIBUT |
| phenigama |
| Phenygam |
