2,6-ジメチルピリジン-3-アミン

2,6-Dimethyl-3-pyridylamine

HCID 76964CAS 3430-33-9

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1ccc(N)c(C)n1
InChIKey: WISXXOGOMDYNSN-UHFFFAOYSA-N
分子式: C7H10N2
平均分子量: 122.17 g/mol
単同位体質量: 122.08439833

名称と識別子

優先名称: 2,6-Dimethyl-3-pyridylamine
IUPAC: 2,6-dimethylpyridin-3-amine
現地名: 2,6-ジメチルピリジン-3-アミン
英語名: 3-Amino-2,6-dimethylpyridine
分子式: C7H10N2
分子量: 122.17

名称と別名

2,6-Dimethyl-3-pyridylamineEINECS 222-332-7DTXSID80187868NSC 100152RefChem:445665DTXCID40110359222-332-72,6-dimethylpyridin-3-amine3430-33-93-Amino-2,6-dimethylpyridine3-Amino-2,6-lutidineMFCD01646409

名称をさらに表示

2,6-ジメチルピリジン-3-アミン3-アミノ-2,6-ルチジン3-アミノ-2,6-ジメチルピリジン3-アミノ-2,6-ジメチルピリジン, 97%-3-pyridyL2,6-diMethyl-3-pyridinylaMine2,6-Dimethyl-3-Amino Pyridine

2,6-dimethyl-3-aminopyridine3-Pyridinamine, 2,6-dimethyl-2,6-Dimethyl-5-aminopyridine2,6-dimethylpyridin-3-ylamine2,6-Dimethyl-3-pyridinamineNSC100152NCIOpen2_0021352,6dimethyl-3-pyridinylamine

データベース識別子

CAS: 3430-33-9
PubChem CID: 76964
DTXSID: DTXSID80187868
ChEMBL: CHEMBL4539633
EC Number: 222-332-7
Nikkaji: J79.796K

物性

構造計算による物性

XLogP: 1
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

物理化学的性質

融点: 121 · 121-123°C
沸点: 230 °C · 230°C
比重(密度): 1.0289 · 1.0289 (estimate)
屈折率: 1.5663 · 1.5663 (estimate)
闪点: 230 °C · 230°C
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
酸解離定数(Pka): 7.61 · 7.61±0.10(Predicted)
外見: powder
色: Yellow
水溶解度: 水に不溶。
BRN: 2424 · 2424
InChI: InChI=1S/C7H10N2/c1-5-3-4-7(8)6(2)9-5/h3-4H,8H2,1-2H3
InChIKey: WISXXOGOMDYNSN-UHFFFAOYSA-N
SMILES: C1(C)=NC(C)=CC=C1N
CAS データベース: 3430 · 3430-33-9(CAS DataBase Reference)

化学的性質

化学的特性Primrose yellow solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

安全データ

ridadr: UN2811
hs_code: 2933399990
risk_code: 20/21/22-36/37/38-41-37/38-22
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36/37/39-39
hazard_class: 6.1
packing_group: III

化学と産業

応用分野

使用3-Amino-2,6-dimethylpyridine is used as pharmaceutical intermediate.

上流・下流製品情報

上流原料

抱水ヒドラジンパラジウム 2,6-ルチジン硝酸硫酸水素 4-Pyridinecarboxylic acid, 3-amino-2,6-dimethyl-2,6-ジメチル-3-ニトロピリジン 2-ヒドロキシ安息香酸

下流製品

2,6-Dimethyl-5-iodopyridine

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