N,N-ジエチル-3-メチルベンゼン-1,4-ジアミン

2-Amino-5-(diethylamino)toluene

HCID 67364CAS 148-71-0

部分構造検索類似構造を探す

基本情報

標準SMILES: CCN(CC)c1ccc(N)c(C)c1
InChIKey: XBTWVJKPQPQTDW-UHFFFAOYSA-N
分子式: C11H18N2
平均分子量: 178.27 g/mol
単同位体質量: 178.14699858

概要

RN given refers to parent cpd; structure

名称と識別子

優先名称: 2-Amino-5-(diethylamino)toluene
IUPAC: 4-N,4-N-diethyl-2-methylbenzene-1,4-diamine
現地名: N,N-ジエチル-3-メチルベンゼン-1,4-ジアミン
英語名: 4-diethylamino-o-toluidine
分子式: C11H18N2
分子量: 178.27

名称と別名

148-71-0A640ZQ81DV3-Methyl-N,N-diethyl-p-phenylenediamine2-AMINO-5-(DIETHYLAMINO)TOLUENECD-2 color developerRefChem:515781N(4),N(4)-diethyl-2-methyl-1,4-benzenediamine1,4-Benzenediamine, N4,N4-diethyl-2-methyl-N1,N1-Diethyl-3-methylbenzene-1,4-diamine4-Diethylamino-o-toluidine4-(Diethylamino)-2-methylanilineN-4,N-4-Diethyl-2-methyl-1,4-benzenediamine

名称をさらに表示

N,N-ジエチル-3-メチル-1,4-フェニレンジアミン4-ジエチルアミノ-2-メチルアニリン4-(ジエチルアミノ)-2-メチルアニリン4-(ジエチルアミノ)-2-メチル-1-ベンゼンアミンN',N'-ジエチル-2-メチル-1,4-ベンゼンジアミン2-メチル-4-(ジエチルアミノ)アニリン2-アミノ-5-(ジエチルアミノ)トルエンN,N-ジエチル-3-メチルベンゼン-1,4-ジアミン4アミノN，Nジエチルmトルイジン塩酸塩２アミノ５Ｎ、ＮジエチルアミノトルエンN′,N′-ジエチル-2-メチル-1,4-ベンゼンジアミンN1,N1-ジエチル-3-メチルベンゼン-1,4-ジアミン4-(Diethylamino)-2-methyl-1-benzenamineN',N'-Diethyl-2-methyl-1,4-benzenediamine4-Amino-N,N-diethyl-m-toluidine hydrochloride,98%

N4,N4-diethyl-2-methyl-1,4-Benzenediamine4-N,4-N-diethyl-2-methylbenzene-1,4-diamineCHEMBL20943073-methyl-4-amino-n,n-diethylanilineMFCD001375764-Amino-3-methyl-N,N-diethylanilineToluene-2,5-diamine, N5,N5-diethyl-N4,N4-Diethyl-2-methyl-p-phenylenediamine

データベース識別子

CAS: 148-71-0
PubChem CID: 67364
DTXSID: DTXSID7043879
ChEMBL: CHEMBL2094307
UNII: A640ZQ81DV
EC Number: 205-722-1
Nikkaji: J37.717A

物性

構造計算による物性

XLogP: 2.1
極性表面積: 29.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 13
形式電荷: 0
複雑度: 143

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Amines, Aromatic

Physical DescriptionWhite odorless crystalline solid; [Kodak MSDS]

物理化学的性質

沸点: 300.3 · 300.3±22.0 °C(Predicted)
比重(密度): 0.995 · 0.995±0.06 g/cm3(Predicted)
酸解離定数(Pka): 8.36 · 8.36±0.42(Predicted)
EPAの化学物質情報: 1 · 1,4-Benzenediamine, N4,N4-diethyl-2-methyl- (148-71-0)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301+H311+H331 (100%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P262, P264, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P333+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazards Summary · 1 件

Can cause skin sensitization; [Marks] May form explosive dust-air mixtures; An eye irritant; Prolonged or repeated skin exposure may cause drying, cracking, or irritation; May cause skin sensitization (positive results in human test); May cause liver injury, based on animal studies (targets liver in repeated-dose oral studies of rats); Harmful by ingestion and inhalation; [Kodak MSDS]

Hazard Classes and CategoriesAcute Tox. 3 (100%)

毒性情報

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.