77-26-9 (布他比妥,2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(2-methylpropyl)-5-(2-propen-1-yl)-)

CAS号:
77-26-9
中文名称:
布他比妥
英文名称:
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(2-methylpropyl)-5-(2-propen-1-yl)-
安全信息:
分子式:
C11H16N2O3
分子量:
224.256342887878
简介:
布他比妥又名丙烯异一比妥,烯丙基巴比妥酸。白色结晶性粉末。

布他比妥(77-26-9)名称与标识符

名称

中文别名:
布他比妥;7-氯-1-乙基-6-氟-1,4-二氢-4-羰基喹啉-3-羧酸;丙烯异丁比妥;布他比妥标准品;烯丙基丙二酰脲;异丁巴比妥;异丁烯丙巴比妥;5-异丁基-5-烯丙基巴比妥酸;μL in Methanol 标准品;布它比托;5-烯丙基-5-异丁基巴比妥酸;
英文别名:
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(2-methylpropyl)-5-(2-propen-1-yl)-;5-(2-methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione;BUTALBITAL;Butalbital solution;5-allyl-5-isobutyl-barbituric acid;5-allyl-5-isobutyl-pyrimidine-2,4,6-trione;Alisobumal;Alisobumalum;Allylbarbital;Allylbarbitone;Butalbarbital;Butalbital 10 ng;Butalbitalum;Itobarbital;Sandoptal;Tetrallobarbital;Allylisobutylbarbiturate;BUTALBITAL COMPONENT OF ESGIC;Profundal;Allylisobutylbarbital;Butalbital (1.0 mg/mL in Methanol);FIORICET COMPONENT BUTALBITAL;5-Allyl-5-(2-methylpropyl)barbituric acid;BUTALBITAL [INN];BUTALBITAL [MART.];BUTALBITAL COMPONENT OF TENCON;BUTALBITAL COMPONENT OF BUTAPAP;LANORINAL COMPONENT BUTALBITAL;5-(2-methylpropyl)-5-prop-2-en-1-ylpyrimidine-2,4,6(1H,3H,5H)-trione;Butalbital [USAN:USP:INN];AKOS015894376;IDI1_000970;BUTALBITAL [VANDF];BUTALBITAL COMPONENT OF ANOQUAN;KHS0AZ4JVK;5-Allyl-5-isobutyl-2,4,6(1H,3H,5H)-pyrimidinetrione;TRIAD COMPONENT BUTALBITAL;BUTALBITAL CIII [USP-RS];BUTALBITAL COMPONENT OF BUCET;Butalbitale [DCIT];FEMCET COMPONENT BUTALBITAL;SCHEMBL79820;AKOS003398680;BUTALBITAL COMPONENT OF FIORINAL;W-109270;AXOTAL COMPONENT BUTALBITAL;NCGC00344559-01;5-(2-methylpropyl)-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione;BUTALBITAL [HSDB];UNII-KHS0AZ4JVK;DB00241;D03182;5-Allyl-5-isobutyl-barbitursA currencyure;SCHEMBL21065545;BUTALBITAL COMPONENT OF BANCAP;5-Isobutyl-5-allylbarbituric acid;CHEMBL454;Butalbital ciii;DTXSID6022711;Q1606543;BARBITURIC ACID, 5-ALLYL-5-ISOBUTYL-;BUTALBITAL [MI];Isobutylallylbarbituric acid;BANCAP COMPONENT BUTALBITAL;Butalbitale;BUTAPAP COMPONENT BUTALBITAL;FIORINAL COMPONENT BUTALBITAL;ESGIC COMPONENT BUTALBITAL;UZVHFVZFNXBMQJ-UHFFFAOYSA-N;NS00010392;Sandoptal (TN);Allylbarbituric acid;EINECS 201-017-8;BUTALBITAL COMPONENT OF TRIAD;Allylisobutylbarbituric acid;BUTALBITAL COMPONENT OF PHRENILIN;SEDAPAP COMPONENT BUTALBITAL;BUTALBITAL COMPONENT OF AXOTAL;BUTALBITAL COMPONENT OF MEDIGESIC PLUS;Butalbital, 1mg/ml in Methanol;BUTALBITAL [USP MONOGRAPH];KBio1_000970;Isobutylallylbarturic acid;BUTALBITAL [ORANGE BOOK];BRD-K71350836-001-01-6;BUTALBITAL [USP IMPURITY];BUTALBITAL [WHO-DD];HMS503A21;CHEBI:102524;5-(2-methylpropyl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione;DivK1c_000970;BUTALBITAL COMPONENT OF FIORICET;Butalbital (USP/INN);BUTALBITAL COMPONENT OF TRIAPRIN;4,6-dihydroxy-5-(2-methylpropyl)-5-(prop-2-en-1-yl)-2,5-dihydropyrimidin-2-one;TRIAPRIN COMPONENT BUTALBITAL;PHRENILIN COMPONENT BUTALBITAL;Butalbital 1.0 mg/ml in Methanol;BUTALBITAL COMPONENT OF LANORINAL;SR-01000872704-1;BUCET COMPONENT BUTALBITAL;GTPL7138;Iso-butylallylbarbituric acid;Butalbitalum [INN-Latin];CCG-220459;5-(2-Methylpropyl)-5-(2-propen-1-l)-2,4,6(1H,3H,5H)-pyrimidinetrione;HSDB 7853;Axocet (Salt/Mix);77-26-9;5-Allyl-5-isobutylbarbituric acid;2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-5-(2-propen-1-yl)-;BUTALBITAL COMPONENT OF SEDAPAP;5-allyl-5-isobutylpyrimidine-2,4,6(1H,3H,5H)-trione;NINDS_000970;SR-01000872704;ANOQUAN COMPONENT BUTALBITAL;2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-5-(2-propenyl)-;TENCON COMPONENT BUTALBITAL;Butalbital, United States Pharmacopeia (USP) Reference Standard;HMS3713K20;BUTALBITAL [USAN];BUTALBITAL COMPONENT OF FEMCET;5-Allyl-5-(2'-methyl-n-propyl) barbituric acid;

标识符

MDL:
MFCD00056089
InChIKey:
UZVHFVZFNXBMQJ-UHFFFAOYSA-N
Inchi:
1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)
SMILES:
O=C1C(C(NC(N1)=O)=O)(CC=C)CC(C)C

布他比妥(77-26-9)物化性质

实验特性

  • LogP : 1.61860
  • PSA : 75.27000
  • 折射率 : 1.5000 (estimate)
  • 沸点 : 365.66°C (rough estimate)
  • 熔点 : 139-140 °C
  • 闪点 : 华氏:48.2 °F
    摄氏:9 °C
  • 浓度 : 1.0 mg/mL in methanol
  • 颜色与性状 : 小叶状结晶。无气味。味微苦。
  • 密度 : 1.1672 (rough estimate)

计算特性

  • 精确分子量 : 224.11600
  • 氢键供体数量 : 2
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 4
  • 同位素质量 : 224.11609238g/mol
  • 重原子数量 : 16
  • 复杂度 : 327
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 无
  • 互变异构体数量 : 5
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 75.3Ų

布他比妥(77-26-9)安全信息

布他比妥(77-26-9)推荐厂家 更多厂家(1)

公司名称手机号/电话联系人QQ微信询单
上海瀚思化工有限公司 18939883912
021-34536277
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