2-羟基乙脒盐酸盐

2-羟基乙脒盐酸盐 基本信息
CAS号 54198-71-9 分子式 C2H6N2O
分子量 74.08180 精确质量  74.04800
PSA  70.10000 LogP  -0.28530

基本信息 展开↓

CAS号:
54198-71-9
3D弹球模型:
立即前往扯扯看
分子式:
C2H6N2O
分子量:
74.08180
中文名称:
2-羟基乙脒盐酸盐
英文名称:
2-hydroxyethanimidamide,hydrochloride
中文别名:
2-羟基乙脒盐酸盐;
6-Hydroxyl-3.4-dihydro-2-(1H)-quinolinone;
6-Hydroxy-2(1H)-3,4-Dihydroquinolinone;
6-hydroxy-3,4-dihydroquinolin-2(1H)-one;
3,4-Dihydro-6-hydroxy-2-[1H]-quinolinone;
3,4-Dihydro-6-hydroxy-2(1H)-quinolinone;
6-hydroxy-2-oxo-1,2,3,4-tetrahydro quinoline;
6-hydroxy-3,4-dihydro-2(1H)-quinolinone;
6-Hydroxy-3,4-dihydroquinazolone;
6-Hydroxy-3,4-dihydro-2-quinolinone;
ORG 3236;
UNII-304GTH6RNH;
(17alpha)-13-Ethyl-17-hydroxy-11-methylene-18,19-dinorpregn-4-en-20-yn-3-one;
18,19-Dinor-17alpha-pregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-11-methylene-;
18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-11-methylene-, (17-alpha)-;
(17R)-13-ethyl-17-ethynyl-17-hydroxy-11-methylidene-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name);
(8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-11-methylidene-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name);
Etonogestrel;
4-methyl-1,3-dihydro-2H-benzimidazole-2-thione;
An
英文别名:
2-hydroxyethanimidamide,hydrochloride;
hydroxyacetamidine hydrochloride;
2-HYDROXYETHANIMIDAMIDE MONOHYDROCHLORIDE;
Ethanimidamide,2-hydroxy-,monohydrochloride;
2-hydroxyacetamidine;
glycolamidine,hydrochloride;
2-hydroxyacetimidamide hydrochloride;
2-hydroxyacetamidine hydrochloride;
2-Hydroxy-acetamidine HCl;
2-hydroxyethanimidamide hydrochloride;
Glykolamidin,Hydrochlorid
精确分子量/精确质量:
74.04800
极性分子表面积/PSA:
70.10000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
InChI=1/C2H6N2O.ClH/c3-2(4)1-5;/h5H,1H2,(H3,3,4);1H/p-1

物化性质

密度:
1.35g/cm3
沸点:
187.2ºC at 760mmHg
闪点:
67ºC

安全信息

海关代码:
2925290090

合成路线

  • 2955-92-2

    2-hydroxyacetimidic acid ethyl ester hydrochloride

  • 54198-71-9

    2-羟基乙脒盐酸盐

海关数据查看详细

中国海关编码:2925290090

概述:
2925290090 其他亚胺及其衍生物,以及它们的盐。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2925290090 other imines and their derivatives; salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:4

3.氢键受体数量:2

4.可旋转化学键数量:1

5.互变异构体数量:3

6.拓扑分子极性表面积:70.1

7.重原子数量:6

8.表面电荷:0

9.复杂度:42.9

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:2

上下游相关产品

上游产品

  • 2955-92-2

    2-hydroxyacetimidic acid ethyl ester hydrochloride

下游产品

  • 3748-16-1

    6-羟基-2-(羟基甲基)-4(3h)-嘧啶酮

  • 82982-60-3

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