69-91-0 (邻氨基苯乙酸,Benzeneacetic acid, a-amino-)

CAS号:
69-91-0
中文名称:
邻氨基苯乙酸
英文名称:
Benzeneacetic acid, a-amino-
分子式:
C8H9NO2
分子量:
151.162562131882

邻氨基苯乙酸(69-91-0)名称与标识符

名称

中文别名:
2-氨基苯乙酸;Α-氨基苯乙酸;邻氨基苯乙酸;
英文别名:
Benzeneacetic acid, a-amino-;α-Aminophenylacetic acid;.α.-Toluic acid, .α.-amino-;2-AMINOPHENYLACETIC ACID;2-Amino-2-phenylacetic acid;-Aminobenze-neacetic acid;P0326;PHENYLGLYCINE, DL-;EN300-22835;DL-alpha-Phenylglycine;Glycine, DL-;Benzeneacetic acid, .alpha.-amino-;UNII-96S7ZZ1KHE;69-91-0;Benzeneacetic acid, alpha-amino-;AB00920;DL-;A-Phenylglycine;H-DL-Phg-OH;CS-W010964;DL-.alpha.-Phenylglycine;BCP30023;SR-01000944793;DL-2-Phenylglycine;Benzeneacetic acid, .alpha.-amino-, (.+/-.)-;alpha-amino-alpha-toluate;2-amino-2-phenyl-acetic acid;.alpha.-Aminobenzeneacetic acid;Amino(phenyl)acetic acid-, (S)-;(+/-)-a-phenylglycine;(.+-.)-.alpha.-Phenylglycine;c-phenylglycine;Q15633805;L-.alpha.-Phenylglycine;NSC-32070;rac-2-amino-2-phenylacetic acid;FT-0624342;AB02597;EINECS 220-608-1;W-107055;DL-Phenylglycine;J-521654;FT-0673773;SR-01000944793-1;DL-alpha-phenylaminoacetic acid;NSC-24619;alpha-Phenylgycine;FT-0627997;alpha-amino-alpha-Toluic acid;NS00077571;Cephalexin Impurity A;D-(-)-alpha-Phenylglycine;H-D-PHG-OH;L-(+)-.alpha.-Aminophenylacetic acid;.alpha.-Phenylglycine;FT-0625602;(+/-)-alpha-phenylglycine;.alpha.-Aminophenylacetic acid;DS-13892;CHEMBL131226;2-amino-2-phenylacetate;2-Phenylglycine, 95%;DL-PHENYL-D5-GLYCINE;Z147647142;SY005672;(+/-)-.ALPHA.-PHENYLGLYCINE;F2191-0177;amino(phenyl)acetate;SY006196;Phenylglycine dl;2835-06-5;DL-alpha-Aminophenylacetic acid;DTXSID70862455;.ALPHA.-PHENYLGLYCINE [MI];(R)-Phenylglycine;(R)-(-)-Alpha-aminophenylacetic acid;(R)-Alpha-aminophenylacetic acid;NSC32070;(+/-)-a-Aminophenylacetic acid;MFCD00064402;SY006358;AKOS000121220;alpha-aminophenylacetate;alpha-Toluic acid, alpha-amino-;NSC-206293;NSC24619;AKOS016042338;Benzeneacetic acid, .alpha.-amino-, (.alpha.S)-;SCHEMBL157180;2-phenyl-glycine;CHEBI:55484;DL-2-phenyl-glycine;NSC 206293;A22760;(+/-)-alpha-Aminophenylacetic acid;NSC206293;NSC 32070;DL-alpha-Phenylglycine, purum, >=98.0% (NT);D70539;HY-W010248;Benzeneacetic acid, (S)-;alpha-aminobenzeneacetate;ALPHA-PHENYLGLYCINE;DL-.alpha.-Aminophenylacetic acid;Benzeneacetic acid, .alpha.-amino-, (S)-;Amino-phenyl-acetic acid;alpha-Aminobenzeneacetic acid;alpha-amino-benzeneacetate;DL-a-phenylglycine;aminophenylacetic acid;96S7ZZ1KHE;.alpha.-Toluic acid, .alpha.-amino-;DL-a-aminophenylacetate;2-Phenylglycine;CAS 69-91-0;Glycine, 2-phenyl-;alpha-Aminophenylacetic acid;alpha-amino-benzeneacetic acid;AM20060590;Amino(phenyl)acetic acid;2-AMINO-2-PHENYLETHANOIC ACID;EINECS 200-719-1;93378EBE-2D42-40BB-8CFB-2C976D8C188C;(RS)-2-phenylglycine;NSC7928;NSC 7928;NSC 24619;FT-0625506;DL-alpha-aminophenylacetate;DL-alpha-phenylaminoacetate;(.+/-.)-.alpha.-Phenylglycine;NSC-7928;DL-a-aminophenylacetic acid;

标识符

InChIKey:
ZGUNAGUHMKGQNY-UHFFFAOYSA-N
Inchi:
1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)
SMILES:
OC(C(C1C=CC=CC=1)N)=O

邻氨基苯乙酸(69-91-0)物化性质

实验特性

  • LogP : -2.07
  • PSA : 63.32
  • 折射率 : 1.5635 (rough estimate)
  • 沸点 : 273.17°C (rough estimate)
  • 熔点 : 123-127 °C(lit.)
  • 密度 : 1.2023 (rough estimate)

计算特性

  • 精确分子量 : 151.06337
  • 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 : 151.063328530g/mol
  • 重原子数量 : 11
  • 复杂度 : 141
  • 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 : 1
  • 疏水参数计算参考值(XlogP) : -1.7
  • 拓扑分子极性表面积 : 63.3Ų

邻氨基苯乙酸(69-91-0)安全信息

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公司名称手机号/电话联系人QQ微信询单
金锦乐(湖南)化学有限公司 金锦乐 1226360695
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