78183-55-8 ((S)-1,2,3,4-四氢异喹啉-3-甲酸甲酯盐酸盐,(s)-Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride)

CAS号:
78183-55-8
中文名称:
(S)-1,2,3,4-四氢异喹啉-3-甲酸甲酯盐酸盐
英文名称:
(s)-Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride
分子式:
C11H14ClNO2
分子量:
227.687362194061
相关分类:

(S)-1,2,3,4-四氢异喹啉-3-甲酸甲酯盐酸盐(78183-55-8)名称与标识符

名称

中文别名:
(S)-1,2,3,4-四氢异喹啉-3-羧酸甲酯盐酸盐;(S)-1,2,3,4-四氢异喹啉-3-甲酸甲酯盐酸盐;
英文别名:
Methyl (S)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylate Hydrochloride;(S)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLICACID METHYL ESTER HYDROCHLORIDE;(S)-Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride;3-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-, methyl ester, hydrochloride (1:1), (3S)-;methyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate,hydrochloride;(S)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid methyl ester hydrochloride;L-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID METHYL ESTER HCL;l-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester hydrochloride;Methyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Hydrochloride;methyl 1,2,3,4-tetrahydro-isoquinoline-3(s)-carboxylate hydrochloride;(s)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid;AKOS024258755;Z1741961026;MFCD05861484;EN300-7406315;A865083;SCHEMBL10749367;DTXSID80972534;Methyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate hydrochloride (1:1);Methyl (S)-1 pound not2 pound not3 pound not4-Tetrahydroisoquinoline-3-carboxylate Hydrochloride;78183-55-8;Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate--hydrogen chloride (1/1);(S)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid methyl ester hydrochloride;(3S)-methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride;AC-29418;(S)-Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate HCl;AS-39130;methyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydrochloride;3-Isoquinolinecarboxylicacid,1,2,3,4-tetrahydro-,methyl ester,hydrochloride(1:1),(3S)-;A8147;BUXCBOUGBHWQBE-PPHPATTJSA-N;(S)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid methyl ester, HCl;

标识符

MDL:
MFCD05861484
InChIKey:
BUXCBOUGBHWQBE-PPHPATTJSA-N
Inchi:
1S/C11H13NO2.ClH/c1-14-11(13)10-6-8-4-2-3-5-9(8)7-12-10;/h2-5,10,12H,6-7H2,1H3;1H/t10-;/m0./s1
SMILES:
Cl.O(C)C([C@@H]1CC2C=CC=CC=2CN1)=O

(S)-1,2,3,4-四氢异喹啉-3-甲酸甲酯盐酸盐(78183-55-8)物化性质

实验特性

  • LogP : 2.00470
  • PSA : 38.33000
  • 颜色与性状 : White to Yellow Solid

计算特性

  • 精确分子量 : 227.07100
  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 2
  • 同位素质量 : 227.0713064g/mol
  • 重原子数量 : 15
  • 复杂度 : 217
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 1
  • 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
  • 拓扑分子极性表面积 : 38.3

(S)-1,2,3,4-四氢异喹啉-3-甲酸甲酯盐酸盐(78183-55-8)安全信息

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