1-Cyclopropyl-1,2,3,4-tetrahydroquinoxaline

HCID 67320755

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1224640-13-4
標準SMILES: c1ccc2c(c1)NCCN2C1CC1
InChIKey: JVYGMSUBNDAILS-UHFFFAOYSA-N
分子式: C11H14N2
平均分子量: 174.24 g/mol
単同位体質量: 174.11569846

名称と識別子

優先名称: 1-Cyclopropyl-1,2,3,4-tetrahydroquinoxaline
IUPAC: 4-cyclopropyl-2,3-dihydro-1H-quinoxaline
英語名: 1-cyclopropyl-1,2,3,4-tetrahydroquinoxaline
分子式: C11H14N2
分子量: 174.24

名称と別名

1-CYCLOPROPYL-1,2,3,4-TETRAHYDROQUINOXALINE1224640-13-4DTXSID70736824RefChem:229828DTXCID10687568859-847-74-cyclopropyl-2,3-dihydro-1H-quinoxalineMFCD206644401-Cyclopropyl-1,2,3,4-tetrahydro-quinoxalineSCHEMBL2217901SCHEMBL30148067TQP0771

名称をさらに表示

Quinoxaline, 1-cyclopropyl-1,2,3,4-tetrahydro-

JVYGMSUBNDAILS-UHFFFAOYSA-NAKOS017532043AS-36268DA-29461SY151159CS-0138684EN300-125701F302269

データベース識別子

CAS: 1224640-13-4
PubChem CID: 67320755
DTXSID: DTXSID70736824
EC Number: 859-847-7

物性

構造計算による物性

XLogP: 2.4
極性表面積: 15.3 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: 1
重原子数: 13
形式電荷: 0
複雑度: 189

物理化学的性質

貯蔵温度: 2 · Storage temp. 2-8°C
InChI: InChI=1S/C11H14N2/c1-2-4-11-10(3-1)12-7-8-13(11)9-5-6-9/h1-4,9,12H,5-8H2
InChIKey: JVYGMSUBNDAILS-UHFFFAOYSA-N
SMILES: N1(C2CC2)C2=C(C=CC=C2)NCC1

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, P319, P321, P330, P332+P317, P337+P317, 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.