Malachite green cation

HCID 11295CAS 10309-95-2
部分構造検索類似構造を探す

基本情報

標準SMILES
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)cc1
InChIKey
VFCNQNZNPKRXIT-UHFFFAOYSA-N
分子式
C23H25N2+
平均分子量
329.5 g/mol
単同位体質量
329.20122522

概要

Malachite green cation is an iminium ion obtained by dimethylation of the imino group of 4-{[4-(dimethylamino)phenyl](phenyl)methylene}cyclohexa-2,5-dien-1-imine. Used in the form of its chloride salt as a green-coloured dye. It has a role as an antibacterial drug, a fluorochrome and an antifungal drug.

名称と識別子

優先名称
Malachite green cation
IUPAC
[4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
英語名
Magentagreencrystals
分子式
C23H25N2+
分子量
329.47

名称と別名

Malachite green cation10309-95-214426-28-9Bis(4-(dimethylamino)phenyl)(phenyl)methyliumAWT9R95TV1[4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazaniumMethanaminium, N-(4-((4-(dimethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-N-(4-((4-(Dimethylamino)phenyl)(phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminiumN-(4-{[4-(dimethylamino)phenyl](phenyl)methylidene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium18015-76-4UNII-AWT9R95TV1Basic Green 4 oxalate
名称をさらに表示
HC GREEN 4Magenta GreenBismarckGreen4Liquid green 4Tetrophene Green MMagentagreencrystalsBasovict Malachite GreenRifa Basic Malachite GreenTokyo Aniline Malachite Green.Simbase Malachite Green Zn free
Malachite green (16)Malachite green (quat N+)SCHEMBL171205CHEMBL1181633DTXSID3043784CHEBI:44107VFCNQNZNPKRXIT-UHFFFAOYSA-NBDBM214729

データベース識別子

CAS
10309-95-2、14426-28-9、18015-76-4
PubChem CID
11295
DTXSID
DTXSID3043784
ChEMBL
CHEMBL1181633
ChEBI
CHEBI:44107
UNII
AWT9R95TV1
EC Number
686-173-9
Nikkaji
J1.858I、J366.497J

物性

構造計算による物性

XLogP
4.8
極性表面積
6.3 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
3
重原子数
25

実験および物理化学的性質

Collision Cross Section · 2 件

188.9 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID1025512]

190.05 Ų [M+H]+

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationChemical: Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-
Other Safety InformationIMAP assessments - Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

危険有害性情報
コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H302

化学と産業

用途と製造

Household ProductsInformation on 1 consumer products that contain C.I. Basic Green 4, oxalate in the following categories is provided:
General Manufacturing InformationMethanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, ethanedioate (1:?): ACTIVE

上流・下流製品情報

サプライヤー50 社

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

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