基本情報
- 標準SMILES
CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1- InChIKey
OAZWDJGLIYNYMU-UHFFFAOYSA-N- 分子式
- C25H31N3
- 平均分子量
- 373.5 g/mol
- 単同位体質量
- 373.251798
名称と識別子
- 優先名称
- Leucocrystal Violet
- IUPAC
- 4-[bis[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
- 現地名
- ロイコクリスタルバイオレット
- 英語名
- Leucocrystal Violet
- 分子式
- C25H31N3
- 分子量
- 373.53
名称と別名
Leucocrystal Violet603-48-5Leucogentian violetLeucomethyl green4,4',4''-Methylidynetris(N,N-dimethylaniline)C.I. Basic Violet 3, leuco3LBR3LR8FSTris(4-(dimethylamino)phenyl)methane4,4',4''-(Hexamethyltriamino)triphenylmethane4,4',4''-Tris(N,N-dimethylaminophenyl)methaneDTXSID3060530Benzenamine, 4,4',4''-methylidynetris[N,N-dimethyl-
名称をさらに表示
ロイコクリスタルバイオレットトリス[4-(ジメチルアミノ)フェニル]メタンロイコゲンチアンバイオレット4,4',4''-メタントリイルトリス(N,N-ジメチルアニリン)トリス(4-ジメチルアミノフェニル)メタン4,4'-[4-(ジメチルアミノ)ベンジリデン]ビス(N,N-ジメチルアニリン)4,4',4''-メチリジントリス(N,N-ジメチルアニリン)4,4',4''-メチリジントリス(N,N-ジメチルベンゼンアミン)p,p',p''-メチリジントリス(N,N-ジメチルアニリン)トリス［４（ジメチルアミノ）フェニル］メタンロイコクリスタルバイオレット標準品4,4',4"-トリス (ジメチルアミノ)トリフェニルメタン4,4′,4′′-メチリジントリス(N,N-ジメチルアニリン)p,p′,p′′-メチリジントリス(N,N-ジメチルアニリン)4,4′-[4-(ジメチルアミノ)ベンジリデン]ビス(N,N-ジメチルアニリン)4,4′,4′′-メチリジントリス(N,N-ジメチルベンゼンアミン)4,4′,4′′-メタントリイルトリス(N,N-ジメチルアニリン)4-{ビス[4-(ジメチルアミノ)フェニル]メチル}-N,N-ジメチルアニリンLCVLEUCO CRYSTAL VIOLETLeuco4,4',4''-Methanetriyltris(N,N-dimethylaniline)PI-LCVLeucocrystalLeuco VioletGrystal Violet
NSC-7338LEUCO BASIC VIOLET 3Benzenamine, 4,4',4''-methylidynetris(N,N-dimethyl-Aniline, 4,4',4''-methylidynetris(N,N-dimethyl-Aniline, 4,4',4''-methylidynetris[N,N-dimethyl-Tris[4-(dimethylamino)phenyl]methaneRefChem:798978DTXCID1042788
データベース識別子
- CAS
603-48-5- PubChem CID
- 69048
- DTXSID
DTXSID3060530- ChEMBL
CHEMBL81595- ChEBI
CHEBI:182175- UNII
- 3LBR3LR8FS
- EC Number
- 210-043-9
- Nikkaji
- J43.062E
物性
構造計算による物性
- XLogP
- 5.7
- 極性表面積
- 9.7 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 6
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 370
実験および物理化学的性質
Physical DescriptionWhite to very pale lavender powder; [IARC]
Collision Cross Section216.47 Ų [M+H]+
物理化学的性質
- 融点
- 175 · 175-177 °C(lit.)
- 沸点
- 492.75 °C · 492.75°C (rough estimate)
- 比重(密度)
- 1.1857 · 1.1857 (rough estimate)
- 蒸気圧
- 0 · 0-0Pa at 10-30℃
- 屈折率
- 1.627 · 1.6270 (estimate)
- 貯蔵温度
- Amber Vial, Refrigerator
- 溶解性
- クロロホルム（微量）、メタノール（微量）
- 酸解離定数(Pka)
- 5.93 · 5.93±0.24(Predicted)
- 外見
- 粉
- 色
- ホワイト～ライトグレー～わずかにラベンダー色
- Henry's Law Constant
- 6.4 · 6.4×104 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- 安定性
- 安定していますが、光と空気に敏感です。強力な酸化剤とは相容れない。
- 主な用途
- 診断アッセイの製造血液学組織学
- InChI
- 1S/C25H31N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18,25H,1-6H3
- InChIKey
- OAZWDJGLIYNYMU-UHFFFAOYSA-N
- SMILES
- CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C
- LogP
- 5.9 · 5.9
- CAS データベース
- 603 · 603-48-5(CAS DataBase Reference)
- NISTの化学物質情報
- P,p',p''-methylidynetris(n,n-dimethylaniline)(603-48-5)
- EPAの化学物質情報
- Leucogentian violet (603-48-5)
化学的性質
化学的特性lavender-coloured powder
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 33.9% (56 of 165) of reports.
Warning
H315 (24.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (24.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (23.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (41.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (41.2%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 165 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 56 of 165 reports by companies.；There are 8 notifications provided by 109 of 165 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory Information
Chemical: Benzenamine, 4,4',4''-methylidynetris[N,N-dimethyl-
Hazard Traits - Bioaccumulation; Environmental Persistence；Authoritative List - Canada PBiTs；Report - if used as a fragrance or flavor ingredient
Status: Active Update: 11-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/22898
Benzenamine, 4,4',4''-methylidynetris[N,N-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummarySee Gentian Violet.
Hazard Classes and CategoriesSkin Irrit. 2 (24.2%)；Eye Irrit. 2 (24.8%)；STOT SE 3 (23.6%)；Aquatic Acute 1 (41.2%)；Aquatic Chronic 1 (41.2%)
毒性情報
Carcinogen Classification
Leucogentian violet
Group 3: Not classifiable as to its carcinogenicity to humans
Volume 129: (2022) Gentian Violet, Leucogentian Violet, Malachite Green, Leucomalachite Green, and CI Direct Blue 218
2022 online
2021
法規制情報
Regulatory Information
Chemical: Benzenamine, 4,4',4''-methylidynetris[N,N-dimethyl-
Hazard Traits - Bioaccumulation; Environmental Persistence；Authoritative List - Canada PBiTs；Report - if used as a fragrance or flavor ingredient
Status: Active Update: 11-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/22898
Benzenamine, 4,4',4''-methylidynetris[N,N-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 32041990
- risk_code
- 36/37/38
- 化審法
- (4)-1476
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
UsesUsed as a precursor of gentian violet; Also used as a chromogenic reagent for several applications; [IARC]
General Manufacturing InformationBenzenamine, 4,4',4''-methylidynetris[N,N-dimethyl-: ACTIVE
上流・下流製品情報
下流製品
サプライヤー50 社
北京华美互利生物化工010-56205725 · [email protected]
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