4-Amino-3-phenylbutyric acid hydrochloride
- 中文别名：4-氨基-3-苯基丁酸盐酸盐
- 中文释义：4-氨基-3-苯基丁酸盐酸盐;3’-氯苯丙酮;4-氨基-3-苯基丁酸
- 英文别名：4-Amino-3-phenylbutyric acid hydrochloride;
phenigama;
phenylgam;
Phenybut;
phenigam;
fenigam;
pgaba;
FENIBUT;
PHENIBUT;
fenigama;
Phenygam
- CAS No.：1078-21-3
- 分子式：C10H14ClNO2
- 分子量：215.67700
- 精确分子量：215.07100
- PSA：63.32000
- InChI：InChI=1/C10H13NO2.ClH/c11-7-9(6-10(12)13)8-4-2-1-3-5-8;/h1-5,9H,6-7,11H2,(H,12,13);1H
- 分子结构式：
物化性质
- 熔点：
- 194.0-202.0°C
- 沸点：
- 327.8°C at 760 mmHg
- 闪点：
- 152.1°C
安全信息
- 熔点：
- 194.0-202.0°C
- 沸点：
- 327.8°C at 760 mmHg
- 闪点：
- 152.1°C
毒理性
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 DATA
ACUTE 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
海关数据
中国海关编码：2922499990
- 概述：
- 2922499990 其他氨基酸及其酯及它们的盐（含有一种以上含氧基的除外）. 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 最惠国关税:6.5% 普通关税:30.0%
- 申报要素：
- 品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
- 监管条件：
- A.入境货物通关单B.出境货物通关单
- 检验检疫：
- P.进境动植物、动植物产品检疫Q.出境动植物、动植物产品检疫R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验
- 摘要/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%
分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：50.17
2、 摩尔体积（cm3/mol）：154.3
3、 等张比容（90.2K）：412.9
4、 表面张力（dyne/cm）：51.2
5、 极化率（10-24cm3）：19.88
