21685-47-2 (D-缬氨酸甲酯盐酸盐,H-D-Val-OMe Hydrochloride)

CAS号:
21685-47-2
中文名称:
D-缬氨酸甲酯盐酸盐
英文名称:
H-D-Val-OMe Hydrochloride
分子式:
C6H14ClNO2
分子量:
167.633861064911

D-缬氨酸甲酯盐酸盐(21685-47-2)名称与标识符

名称

中文别名:
D-缬氨酸甲酯盐酸盐;D-缬氨酸甲酯.盐酸盐;D-缬氨酸甲酯盐酸盐,D-VALINE METHYL ESTER HYDROCHLORIDE;D-缬氨酸甲酯盐酸盐 D-缬氨酸甲酯;
英文别名:
D-VALINE METHYL ESTER HYDROCHLORIDE;D-VALINE METHYL ESTER HCL;H-D-Val-OMe · HCl;H-D-VAL-OME HCL;H-D-Val-OMe.HCl;H-D-Va-OMe•HCl;D-valine methyl ester;H-D-Val-OMe;Methyl D-valinate hydrochloride;(R)-Methyl 2-amino-3-methylbutanoate hydrochloride;D-Valine, methyl ester, hydrochloride;methyl (2R)-2-amino-3-methylbutanoate hydrochloride;Methyl D-valinate HCl;D-Valinemethyl ester hydrochloride;PubChem10898;H-D-Val-OMe hydrochloride;D-Valine methyl ester, HCl;KSC4;KUGLDBMQKZTXPW-NUBCRITNSA-N;DTXSID60221673;SCHEMBL203200;D-Valine methyl ester, hydrochloride;(D)-valine methyl ester hydrochloride;(R)-2-Amino-3-methyl-butyric acid methyl ester; hydrochloride;H-D-Val-OMe*HCl;NS00080584;J-300306;CS-0012693;(R)-2-amino-3-methyl-butyric acid methyl ester hydrochloride;GS-3244;MFCD00237309;methyl (2R)-2-amino-3-methylbutanoate;hydrochloride;AKOS015845937;AC-22371;A837188;EN300-716335;V0094;methyl (2R)-2-azanyl-3-methyl-butanoate hydrochloride;(D)-valine methylester hydrochloride;AC-8672;(2R)-2-amino-3-methylbutanoic acid methyl ester hydrochloride;methyl (2R)-2-amino-3-methyl-butanoate hydrochloride;I10617;Q-101858;NSC 22921;7146-15-8;O-Methyl-D-valine (hydrochloride);21685-47-2;EINECS 230-454-7;HY-79708A;AM20100674;D-Valine methyl ester hydrochloride, >=99.0% (AT);DA-64086;(R)-2-Amino-3-methylbutanoic Acid Methyl Ester Hydrochloride; (R)-2-Amino-3-methylbutyric Acid Methyl Ester Hydrochloride; Methyl (R)-2-Amino-3-methylbutanoate Hydrochloride; Methyl D-Valinate Hydrochloride; NSC 22921;

标识符

MDL:
MFCD00237309
InChIKey:
KUGLDBMQKZTXPW-NUBCRITNSA-N
Inchi:
1S/C6H13NO2.ClH/c1-4(2)5(7)6(8)9-3;/h4-5H,7H2,1-3H3;1H/t5-;/m1./s1
SMILES:
Cl.O(C)C([C@@H](C(C)C)N)=O

D-缬氨酸甲酯盐酸盐(21685-47-2)物化性质

实验特性

  • LogP : 1.64500
  • PSA : 52.32000
  • 沸点 : No data available
  • 熔点 : ~170 °C (dec.)
  • 蒸气压 : No data available
  • 闪点 : No data available
  • 颜色与性状 : No data avaiable

计算特性

  • 精确分子量 : 167.07100
  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 3
  • 同位素质量 : 131.095
  • 重原子数量 : 10
  • 复杂度 : 101
  • 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 : 1
  • 拓扑分子极性表面积 : 52.3

D-缬氨酸甲酯盐酸盐(21685-47-2)国际标准相关数据

EINECS:
230-454-7

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