CAS 115007-14-2|1-[chloro(pyrrolidin-1-yl)methylidene]-1$l^{5}-pyrrolidin-1-ylium tetrafluoroborate|1-[chloro(pyrrolidin-1-yl)methylidene]-1$l^{5}-pyrrolidin-1-ylium; tetrafluoroboranuide|1-(Chloro-...

基本信息

化学结构

分子式

C₉H₁₆BClF₄N₂

分子量

274.4943528

精确质量

274.10311948

电荷

InChI

InChI=1S/C9H16ClN2.BF4/c10-9(11-5-1-2-6-11)12-7-3-4-8-12;2-1(3,4)5/h1-8H2;/q+1;-1

InChIKey

NRROZYAIGHAMHH-UHFFFAOYSA-N

Canonic Smiles

F[B-](F)(F)F.ClC(=[N+]1CCCC1)N1CCCC1

Isomeric Smiles

ClC(=[N+]1CCCC1)N1CCCC1.[B-](F)(F)(F)F

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

-1.8953432

LogD (pH = 7.4)

-1.8953432

Log P

-1.8953432

摩尔折射率

63.5177

极化性

19.863277

极化表面积

6.25

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

IUPAC传统名

1-[chloro(pyrrolidin-1-yl)methylidene]-1$l^{5}-pyrrolidin-1-ylium tetrafluoroborate 1-[chloro(pyrrolidin-1-yl)methylidene]-1λ⁵-pyrrolidin-1-ylium tetrafluoroborate (1Z)-1-[chloro(pyrrolidin-1-yl)methylidene]-1λ⁵-pyrrolidin-1-ylium tetrafluoroborate

IUPAC标准名

1-[chloro(pyrrolidin-1-yl)methylidene]-1$l^{5}-pyrrolidin-1-ylium; tetrafluoroboranuide 1-[chloro(pyrrolidin-1-yl)methylidene]-1λ⁵-pyrrolidin-1-ylium; tetrafluoroboranuide (1Z)-1-[chloro(pyrrolidin-1-yl)methylidene]-1λ⁵-pyrrolidin-1-ylium; tetrafluoroboranuide

别名

1-(Chloro-1-pyrrolidinylmethylene)pyrrolidinium tetrafluoroborate 97%Chloro-dipyrrolidinocarbenium tetrafluoroborate1-(氯-1-吡咯烷基亚甲基)吡咯烷鎓四氟磷酸盐氯化-N,N,N',N'-双(丝亚甲基)乙酸甲脒四氟硼酸Chloro-N,N,N′,N′-bis(tetramethylene)formamidinium tetrafluoroborateChloro-N,N,N',N'-bis(tetramethylene)formamidinium tetrafluoroborate1-(Chloro-1-pyrrolidinylmethylene)pyrrolidinium tetrafluoroborate

名称和标识

数据登录号

MDL号

CAS号

PubChem SID

PubChem CID

数据登录号

化合物性质