6-アミノ-2,4-ルチジン

2-Amino-4,6-dimethylpyridine

HCID 21507CAS 5407-87-4

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1cc(C)nc(N)c1
InChIKey: BRBUBVKGJRPRRD-UHFFFAOYSA-N
分子式: C7H10N2
平均分子量: 122.17 g/mol
単同位体質量: 122.08439832

名称と識別子

優先名称: 2-Amino-4,6-dimethylpyridine
IUPAC: 4,6-dimethylpyridin-2-amine
現地名: 6-アミノ-2,4-ルチジン
英語名: 2-Amino-4,6-dimethylpyridine
分子式: C7H10N2
分子量: 122.17

名称と別名

2-AMINO-4,6-DIMETHYLPYRIDINE5407-87-46-Amino-2,4-lutidine2-Pyridinamine, 4,6-dimethyl-4,6-Dimethyl-2-pyridinamine2,4-Lutidine, 6-amino-4,6-Dimethyl-2-pyridylamine4,6-Dimethyl-2-aminopyridine7NVZ9DW9Q5Pyridine, 2-amino-4,6-dimethyl-NSC 10731BRN 0002048

名称をさらに表示

6-アミノ-2,4-ルチジン2,4-ジメチル-6-アミノピリジン4,6-ジメチルピリジン-2-アミン4,6-ジメチル-2-ピリジンアミン2-アミノ-4,6-ジメチルピリジン4,6-DIMETHYLPYRIDIN-2-AMINE2-AMINO-4,6-LUTIDINELABOTEST-BB LT000807244,6-DIMETHYL-2-LUTIDINE6-Amino-2,4-lutidine >6-AMINO-2,4-LUTIDINE 98+%4,6-dimethyl-2-pyridinamin

EINECS 226-470-9NSC-10731DTXSID90521895-22-09-00405 (Beilstein Handbook Reference)BYK-205516NSC-176164(4,6-DIMETHYLPYRIDIN-2-YL)AMINERefChem:464019

データベース識別子

CAS: 5407-87-4
PubChem CID: 21507
DTXSID: DTXSID9052189
ChEMBL: CHEMBL59925
UNII: 7NVZ9DW9Q5
EC Number: 226-470-9
Nikkaji: J51.282F

物性

構造計算による物性

XLogP: 1.3
極性表面積: 38.9 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: 0
重原子数: 9
形式電荷: 0
複雑度: 92.9

物理化学的性質

融点: 63 · 63-64 °C (lit.)
沸点: 235 °C · 235 °C (lit.)
比重(密度): 1.0959 · 1.0959 (rough estimate)
屈折率: 1.61 · 1.6100 (estimate)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
酸解離定数(Pka): 7.62 · 7.62±0.35(Predicted)
外見: 結晶性粉末
色: 白から薄茶色
InChI: InChI=1S/C7H10N2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3,(H2,8,9)
InChIKey: BRBUBVKGJRPRRD-UHFFFAOYSA-N
SMILES: C1(N)=NC(C)=CC(C)=C1
CAS データベース: 5407 · 5407-87-4(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Pyridinamine, 4,6-dimethyl-(5407-87-4)
EPAの化学物質情報: 2 · 2-Pyridinamine, 4,6-dimethyl- (5407-87-4)

化学的性質

化学的特性White to off-white crystalline

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: US1818000
hs_code: 2933399990
risk_code: 36/37/38-22
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-37/39
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing Information2-Pyridinamine, 4,6-dimethyl-: ACTIVE

応用分野

使用Organic intermediate.

調製方法

純化方法Recrystallise this base from hexane, ether/pet ether or *benzene. Residual *benzene is removed over paraffin-wax chips in an evacuated desiccator. The dipicrate crystallises from EtOH and has m 205-207o(dec). [Beilstein 22 III/IV 4210.]