7-Methoxynaphthalen-1-amine

HCID 235817

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 5302-79-4
標準SMILES: COc1ccc2cccc(N)c2c1
InChIKey: PYPBAWHTDYSLKJ-UHFFFAOYSA-N
分子式: C11H11NO
平均分子量: 173.21 g/mol
単同位体質量: 173.08406397

名称と識別子

優先名称: 7-Methoxynaphthalen-1-amine
IUPAC: 7-methoxynaphthalen-1-amine
英語名: 7-Methoxynaphthalen-1-amine
分子式: C11H11NO
分子量: 173.21

名称と別名

7-methoxynaphthalen-1-amineDTXSID30284538RefChem:546731DTXCID10235689870-458-15302-79-47-methoxy-1-naphthalenamine1-AMINO-7-METHOXYNAPHTHALENEMFCD082720737-methoxy-1-naphthylamineNSC375707-methoxynaphthylamine

名称をさらに表示

1-NaphthalenaMine, 7-Methoxy-

SCHEMBL2497177-methoxy-naphthalen-1-ylamineSCHEMBL1805927SCHEMBL29792825naphthalene, 1-amino-7-methoxy-PYPBAWHTDYSLKJ-UHFFFAOYSA-N(7-methoxy-naphthalen-1-yl)-amineALBB-033453

データベース識別子

CAS: 5302-79-4
PubChem CID: 235817
DTXSID: DTXSID30284538
EC Number: 870-458-1
Nikkaji: J3.458.298J

物性

構造計算による物性

XLogP: 2.6
極性表面積: 35.3 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: 171

物理化学的性質

貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
InChI: InChI=1S/C11H11NO/c1-13-9-6-5-8-3-2-4-11(12)10(8)7-9/h2-7H,12H2,1H3
InChIKey: PYPBAWHTDYSLKJ-UHFFFAOYSA-N
SMILES: C1(N)=C2C(C=CC(OC)=C2)=CC=C1

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.