丁基甜菜碱盐酸盐 | 6249-56-5
丁基甜菜碱盐酸盐
γ-Butyrobetaine Hydrochloride
6249-56-5
C7H16ClNO2
181.6604
名称和标识符
MDL |
MFCD00011905 |
InChIKey |
GNRKTORAJTTYIW-UHFFFAOYSA-N |
Inchi |
1S/C7H15NO2.ClH/c1-8(2,3)6-4-5-7(9)10;/h4-6H2,1-3H3;1H |
SMILES |
[Cl-].O([H])C(C([H])([H])C([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])=O |
别名信息
- 中文别名 -
- 丁基甜菜碱盐酸盐
- (3-羧丙基)三甲基氯化铵
- (3-丙基)三甲基氯化铵
- 法莫替丁相关化合物B
- γ-丁基甜菜碱 盐酸盐
- 英文别名 -
- 3-Carboxy-N,N,N-trimethylpropan-1-aminium chloride
- (3-carboxypropyl)trimethyl-ammoniuchloride
- 3-carboxy-n,n,n-trimethyl-1-propanaminiuchloride
- 3-carboxy-n,n,n-trimethyl-1-propanaminiumchloride
- gamma-butyrobetain-chlorid
- GAMMA-BUTYROBETAINE HYDROCHLORIDE
- DEOXYCARNITINE HYDROCHLORIDE
- (3-CARBOXYPROPYL)TRIMETHYLAMMONIUMCHLORI DE PRACTIC
- (3-CARBOXYPROPYL)TRIMETHYLAMMONIUM CHLOR IDE, TECH.
- γ-butyrobetaine hydrochloride
- trimethylaminobutyrate
- (3-Carboxypropyl)Trimethylammonium Chloride
- 3-carboxypropyl(trimethyl)azanium,chloride
- 3-carboxy-N,N,N-trimethylpropan-1-ammonium chloride
- 3-carboxy-N,N,N-trimethylpropanaminium chloride
- Butyrobetaine chloride
- gamma-Butyrobetain-chlorid [German]
- 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-, chloride
- 3-Carboxy-N,N,N-trimethyl-1-propanaminium chloride
- AMMONIUM, (3-CARBOXYPROPYL)TRIMETHYL-, CHLORIDE
- AK114606
- 1-Propanaminium,3-carboxy-N,N,N-trimethyl-, chloride (1:1)
- (3-Carboxypropyl)trimethylammonium chloride, technical grade
- SCHEMBL1758660
- AKOS015917353
- SY104366
- A833809
- 3-carboxypropyl(trimethyl)azanium
- chloride
- trimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium chloride
- Gama-Butyrobetaine hydrochloride
- 6249-56-5
- HY-113270A
- gamma-Butyrobetain-chlorid
- ?-Butyrobetainehydrochloride
- 3-carboxypropyl(trimethyl)ammonium chloride
- Deoxycarnitine hydrochloride
- Trimethylaminobutyrate
- (3-Carboxypropyl)trimethylammonium chlor
- MFCD00011905
- 3-Carboxy-N,N,N-trimethylpropan-1-aminiumchloride
- D83216
- (3-Carboxypropyl)trimethylammonium chloride (gamma-Butyrobetaine hydrochloride)
- 4-HYDRAZINO-BENZOICACIDHYDRAZIDE
- DS-3817
- CS-0080097
- gamma-Butyrobetaine hydrochloride
- FT-0706963
- (3-Carboxypropyl)trimethylammonium chloride
- y-Butyrobetaine hydrochloride
- PD098598
- -Butyrobetaine hydrochloride
- Deoxycarnitinehydrochloride
物化性质
实验特性
LogP |
-2.43860 |
PSA |
37.30000 |
熔点 |
220 °C (dec.) (lit.) |
颜色与性状 |
未确定 |
溶解性 |
未确定 |
计算特性
精确分子量 |
181.08700 |
氢键供体数量 |
1 |
氢键受体数量 |
3 |
可旋转化学键数量 |
4 |
同位素质量 |
181.087 |
重原子数量 |
11 |
复杂度 |
115 |
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 |
2 |
疏水参数计算参考值(XlogP) |
无 |
互变异构体数量 |
无 |
表面电荷 |
0 |
拓扑分子极性表面积 |
37.3 |
海关数据
海关编码 |
2923900090 |
海关数据 |
中国海关编码:
2923900090
概述:
2923900090 其他季铵盐及季铵碱。监管条件:无。增值税率:17.0%。退税率:9.0%。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
Summary:
2923900090 other quaternary ammonium salts and hydroxides。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%
|
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参考资料
Reaxys RN |
|
Beilstein |
MFCD00011905 |
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