14358-33-9 (DL-天冬氨酸双甲酯盐酸盐,Dl-Aspartic Acid Dimethyl Ester Hydrochloride)

CAS号:
14358-33-9
中文名称:
DL-天冬氨酸双甲酯盐酸盐
英文名称:
Dl-Aspartic Acid Dimethyl Ester Hydrochloride
分子式:
C6H12ClNO4
分子量:
197.616781234741

DL-天冬氨酸双甲酯盐酸盐(14358-33-9)名称与标识符

名称

中文别名:
DL-天冬氨酸二甲酯盐酸盐;2,6-二氯嘌呤;DL-天冬氨酸双甲酯盐酸盐;DL-天冬氨酸二甲基酯盐酸盐;
英文别名:
Aspartic acid,1,4-dimethyl ester, hydrochloride (1:1);H-DL-Asp(OMe)-OMe.HCl;DL-ASPARTIC ACID DIMETHYL ESTER HYDROCHLORIDE;H-DL-Asp(OMe)-OMe · HCl;H-Dl-asp(ome)-ome hcl;H-DL-Asp(OMe)-OMe•HCl;1,1-cyclopentane dicarboxylic acid dimethyl ester;aspartic acid dimethyl ester hydrochloride;Cyclopentan-1,1-dicarbonsaeure-dimethylester;cyclopentane-1,1-dicarboxylic acid dimethyl ester;D-aspartic acid dimethyl ester hydrochloride;D-aspartic acid methyl ester hydrochloride;dimethyl 1,1-cyclopentanedicarboxylate;dimethyl D-aspartate hydrochloride;DL-Asp(OMe)-OMe·HCl;DL-ASPARTIC ACID(OME)-OME HCL;dl-asparticaciddimethylesterHCl;DL-ASPARTIC ACID A,B-DIMETHYLESTER HYDROCHLORIDE;DL-ASPARTIC ACID DIMETHYL ESTERHYDROCHLO RIDE CRYST;DL-ASPARTIC ACID ALPHA,BETA-DIMETHYL ESTER HYDROCHLORIDE;Dimethyl aspartate hydrochloride (1:1);H-D,L-Asp(OMe)-OMe HCl;1,4-dimethyl 2-aminobutanedioate hydrochloride;H-Asp(OMe)-OMe inverted exclamation mark currencyHCl;NSC112494;EINECS 250-957-5;AC-19190;H-D-Asp(OMe)-OMe HCl;Dimethyl DL-aspartate hydrochloride;PNLXWGDXZOYUKB-UHFFFAOYSA-N;SY039685;NSC 112494;HY-W067478;14358-33-9;MFCD00054368;dimethyl 2-aminobutanedioate;hydrochloride;SCHEMBL1802201;dimethyl 2-aminosuccinate hydrochloride;W13852;AS-19068;FT-0696164;H-DL-Asp(OMe)-OMe . HCl;SY029746;FT-0639011;CS-0059285;Dimethyl L-aspartate HCl;AKOS009140581;FT-0602741;dimethyl (2S)-2-aminobutanedioate hydrochloride;EN300-91448;Aspartic acid dimethyl ester HCl;H-D,L-Asp(OMe)-OMe hydrochloride;NSC-112494;DL-Asp(OMe)-OMe⋅HCl;MFCD00070384;AM81642;DL-Aspartic acid dimethyl ester hydrochloride≥ 98.5% (Assay: Anhydrous basis);DA-53906;1,4-dimethyl 2-aminobutanedioate hydrochloridyl;dimethyl (2R)-2-aminobutanedioate,hydrochloride;

标识符

MDL:
MFCD00054368
InChIKey:
PNLXWGDXZOYUKB-UHFFFAOYSA-N
Inchi:
1S/C6H11NO4.ClH/c1-10-5(8)3-4(7)6(9)11-2;/h4H,3,7H2,1-2H3;1H
SMILES:
Cl.O(C)C(C(CC(=O)OC)N)=O

DL-天冬氨酸双甲酯盐酸盐(14358-33-9)物化性质

实验特性

  • LogP : 0.55210
  • PSA : 78.62000
  • 沸点 : 223℃ at 760 mmHg
  • 熔点 : 115-116.5 ºC (ethanol ethyl acetate )

计算特性

  • 精确分子量 : 197.04500
  • 氢键供体数量 : 1
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 5
  • 同位素质量 : 197.0454856g/mol
  • 重原子数量 : 12
  • 复杂度 : 157
  • 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 : 1
  • 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 : 78.6Ų

DL-天冬氨酸双甲酯盐酸盐(14358-33-9)上下游