1,2,3,4-テトラヒドロ-1,5-ナフチリジン

1,2,3,4-Tetrahydro-1,5-naphthyridine

HCID 6917495
ノート反応
部分構造検索類似構造を探す

基本情報

CAS
13993-61-8
標準SMILES
c1cnc2c(c1)NCCC2
InChIKey
OALXTMWCXNPUKJ-UHFFFAOYSA-N
分子式
C8H10N2
平均分子量
134.18 g/mol
単同位体質量
134.08439833

名称と識別子

優先名称
1,2,3,4-Tetrahydro-1,5-naphthyridine
IUPAC
1,2,3,4-tetrahydro-1,5-naphthyridine
現地名
1,2,3,4-テトラヒドロ-1,5-ナフチリジン
英語名
1,2,3,4-Tetrahydro-1,5-naphthyridine
分子式
C8H10N2
分子量
134.18

名称と別名

1,2,3,4-tetrahydro-1,5-naphthyridine13993-61-8DTXSID60426060RefChem:214426DTXCID60376894826-595-41,2,3,4-tetrahydro-[1,5]naphthyridineMFCD08444439CMLDBU000035831,5-NAPHTHYRIDINE, 1,2,3,4-TETRAHYDRO-A1AJRtetrahydro 1,5-naphthyridine
名称をさらに表示
1,2,3,4-テトラヒドロ-1,5-ナフチリジンEOS-621351,2,3,4-TETRAHYDRO-1,5-NAPHTHY1,2,3,4-Tetrahydro-1,5phthyridine
SCHEMBL220828SCHEMBL307955SCHEMBL626768SCHEMBL3197948SCHEMBL29620683OALXTMWCXNPUKJ-UHFFFAOYSA-NNAA99361AKOS009101721

データベース識別子

CAS
13993-61-8
PubChem CID
6917495
DTXSID
DTXSID60426060
EC Number
826-595-4
Nikkaji
J893.345F

物性

構造計算による物性

XLogP
1.3
極性表面積
24.9 Ų
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
10

物理化学的性質

融点
107 · 107-109 °C
沸点
265.3 · 265.3±9.0 °C(Predicted)
比重(密度)
1.068 · 1.068±0.06 g/cm3(Predicted)
貯蔵温度
Keep in dark place,Inert atmosphere,Room temperature
酸解離定数(Pka)
7.24 · 7.24±0.20(Predicted)
外見
solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): 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, 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 3 reports by companies from 3 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%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2 (100%)；STOT SE 3 (66.7%)

安全データ

hs_code
2933998090

化学と産業

応用分野

使用1,2,3,4-Tetrahydro-1,5-naphthyridine can be used as SHP2 inhibitors to treat diseases.

サプライヤー69 社

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
常州稀亚生物科技有限公司13775267187

関連反応

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化合物ノート

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