17228-46-5 (1-(苯并[D][1,3]1,3-二氧杂环戊烯-5-基甲基)胍半硫酸盐,(E)-N-(1,3-benzodioxol-5-ylmethyl)(imino)methanediaminium sulfate)

快速询单

结构式：

1-(苯并[D][1,3]1,3-二氧杂环戊烯-5-基甲基)胍半硫酸盐MOL文件

CAS号：

17228-46-5

中文名称：

1-(苯并[D][1,3]1,3-二氧杂环戊烯-5-基甲基)胍半硫酸盐

英文名称：

(E)-N-(1,3-benzodioxol-5-ylmethyl)(imino)methanediaminium sulfate

分子式：

C₁₈H₂₄N₆O₈S

分子量：

484.483562469482

1-(苯并[D][1,3]1,3-二氧杂环戊烯-5-基甲基)胍半硫酸盐(17228-46-5)名称与标识符

名称

中文别名：

1-(苯并[D][1,3]1,3-二氧杂环戊烯-5-基甲基)胍半硫酸盐;

英文别名：

(E)-N-(1,3-benzodioxol-5-ylmethyl)(imino)methanediaminium sulfate;(C-azaniumylcarbonimidoyl)-(1,3-benzodioxol-5-ylmethyl)azanium,sulfate;QMXJIKQXUYRZIE-UHFFFAOYSA-N;N-BENZO[1,3]DIOXOL-5-YLMETHYL-GUANIDINE;guanidine, N-(1,3-benzodioxol-5-ylmethyl)-;1-(benzo[d][1,3]dioxol-5-ylmethyl)guanidine hemisulfate;N-(1,3-benzodioxol-5-ylmethyl)guanidine compound with sulfuric acid (2:1);2-(1,3-benzodioxol-5-ylmethyl)guanidine;sulfuric acid;17228-46-5;1-(Benzo[d][1,3]dioxol-5-ylmethyl)guanidinehemisulfate;N-(1,3-Benzodioxol-5-ylmethyl)guanidinecompound with sulfuric acid (2:1);

标识符

MDL：

MFCD01746761

InChIKey：

QMXJIKQXUYRZIE-UHFFFAOYSA-N

Inchi：

1S/2C9H11N3O2.H2O4S/c2*10-9(11)12-4-6-1-2-7-8(3-6)14-5-13-7;1-5(2,3)4/h2*1-3H,4-5H2,(H4,10,11,12);(H2,1,2,3,4)

SMILES：

S(=O)(=O)(O)O.O1COC2C=CC(C/N=C(\N)/N)=CC1=2.O1COC2C=CC(C/N=C(\N)/N)=CC1=2

1-(苯并[D][1,3]1,3-二氧杂环戊烯-5-基甲基)胍半硫酸盐(17228-46-5)物化性质

实验特性

PSA : 166.82

计算特性

精确分子量 : 291.05259
氢键供体数量 : 6
氢键受体数量 : 10
可旋转化学键数量 : 4
同位素质量 : 484.13763292g/mol
重原子数量 : 33
复杂度 : 309
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 : 3
拓扑分子极性表面积 : 249Å²

1-(苯并[D][1,3]1,3-二氧杂环戊烯-5-基甲基)胍半硫酸盐(17228-46-5)安全信息

HazardClass： IRRITANT

1-(苯并[D][1,3]1,3-二氧杂环戊烯-5-基甲基)胍半硫酸盐(17228-46-5)推荐厂家更多厂家(1)

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960化工网为您提供1-(苯并[D][1,3]1,3-二氧杂环戊烯-5-基甲基)胍半硫酸盐专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.17228-46-5,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:17228-46-5 国际站:17228-46-5