甘氨酸苄酯盐酸盐 | 1738-68-7
中文名称:
甘氨酸苄酯盐酸盐
英文名称:
Benzyl 2-aminoacetate
CAS No.:
1738-68-7
分子式:
C9 H1 1 NO2
分子量:
165.1891
名称和标识符
MDL
MFCD00035442
InChIKey
JXYACYYPACQCDM-UHFFFAOYSA-N
Inchi
1S/C9H11NO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7,10H2
SMILES
O(C(C([H])([H])N([H])[H])=O)C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H]
别名信息
- 中文别名 -
甘氨酸苄酯盐酸盐
[R-(R*,S*)]-3,5-二羟基-7-[2-环丙基-4-(4-氟苯基)-3-喹啉]-6-庚烯酸乙酯
乙二醛缩双(邻氨基酚)
甘氨酸苄酯
H-甘氨酸-OBZ盐酸盐
- 英文别名 -
Glycine benzyl ester hydrochloride
L-A-aminophenylacetic acid methyl ester hydrochlo
H-Gly-OBzl.HCl
benzyl 2-aminoacetate
Benzyl 2-aminoacetate hydrochloride
Glycine benzyl ester
H-Gly-OBzl · HCl
H-Gly-OBzlCl
Glyoxal-bis(2-hydroxyanil)
Benzyl aminoacetate
H-Gly-OBzl
H-Gly-OBz.HCl
H-DL-Gly-OBzl
H-Gly-OBzl·HCI
Glycine Phenylmethyl Ester
H-Gly-OBzl Toluenesulfonate
phenylmethyl 2-aminoacetate
phenylmethyl 2-azanylethanoate
2-aminoacetic acid benzyl ester
Benzyl glycinate
Amino-acetic acid benzyl ester
Glycine, phenylmethyl ester
Glycine, benzyl ester
benzyl2-aminoacetatehydrochloride
H-GLY-OBZL HCL
Glycine, phenylmethylester
JXYACYYPACQCDM-UHFFFAOYSA-N
GlyOBzl
O-benzyl-glycine
Gly-OBzl
Gly-OBn
Phenylglycine methyl
Gly-OBzl. HCl
H-Gly-OBn
Gly-OCH2Ph
H-Gly-O-Bzl
Benzyl-2-aminoacetate
Benzyl aminoacetate #
H-Gly-OBzl hydrochl
H-Gly-OBzl . HCl
H-Gly-OBzl hydrochloride
SCHEM
FT-0626765
SCHEMBL42974
SCHEMBL42974
Q-101815
Q-101815
glycine phenylmethyl ester
MFCD01027051
glycine phenylmethyl ester
AS-49134
MFCD01027051
1738-68-7
AS-49134
SY031469
1738-68-7
CHEBI:168527
SY031469
H11970
CHEBI:168527
Benzyl glycinate HCl
H11970
Benzyl glycinate HCl
EN300-142801
H-DL-Gly-OBzl (hydrochloride)
EN300-142801
H-DL-Gly-OBzl (hydrochloride)
DTXSID90938429
DTXSID90938429
SB76279
SB76279
A3844
A3844
AKOS005391420
AKOS005391420
物化性质
实验特性
LogP
1.38880
PSA
52.32000
折射率
1.558
沸点
245.5±15.0 ºC (760 Torr),
熔点
135-137 ºC
蒸气压
0.0±0.5 mmHg at 25°C
闪点
110.3±17.9 ºC,
溶解度
略溶 (16 g/L) (25 ºC),
颜色与性状
未确定。
溶解性
未确定
密度
1.132±0.06 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量
165.07900
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
165.079
重原子数量
12
复杂度
142
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
1
疏水参数计算参考值(XlogP)
1.1
表面电荷
0
拓扑分子极性表面积
52.3
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