4-(4-ピリジルメチル)アニリン

4-[(Pyridin-4-yl)methyl]aniline

HCID 307158CAS 27692-74-6

部分構造検索類似構造を探す

基本情報

標準SMILES: Nc1ccc(Cc2ccncc2)cc1
InChIKey: WZXYYQHVDJMIFF-UHFFFAOYSA-N
分子式: C12H12N2
平均分子量: 184.24 g/mol
単同位体質量: 184.10004838

名称と識別子

優先名称: 4-[(Pyridin-4-yl)methyl]aniline
IUPAC: 4-(pyridin-4-ylmethyl)aniline
現地名: 4-(4-ピリジルメチル)アニリン
英語名: 4-(4-PYRIDYLMETHYL)ANILINE
分子式: C12H12N2
分子量: 184.24

名称と別名

4-[(pyridin-4-yl)methyl]aniline4-((pyridin-4-yl)methyl)anilineRefChem:509915887-667-94-(pyridin-4-ylmethyl)aniline27692-74-64-(4-pyridylmethyl)aniline4-Pyridin-4-ylmethyl-phenylamineBenzenamine, 4-(4-pyridinylmethyl)-MFCD000530604-(4-aminobenzyl)pyridine4-(4-pyridinylmethyl)phenylamine

名称をさらに表示

4-(4-ピリジルメチル)アニリン4‐(4‐ピリジルメチル)アニリン4-(ピリジン-4-イルメチル)アニリンAKOS B022151AKOS MSC-0758ASISCHEM C15388BUTTPARK 96\57-84IFLAB-BB F0902-4430ART-CHEM-BB B022151TIMTEC-BB SBB007147LABOTEST-BB LT00073086

4-(4-Pyridinylmethyl)-phenylamine4-(4-pyridylmethyl)aniline, AldrichCPRBP-10866SR-010004301694-(4-pyridylmethyl)phenylamineF0902-44304-(4-pyridinylmethyl)aniline[4-(pyridin-4-ylmethyl)phenyl]amine

データベース識別子

CAS: 27692-74-6
PubChem CID: 307158
DTXSID: DTXSID90308562
EC Number: 887-667-9

物性

構造計算による物性

XLogP: 2.2
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: 2
重原子数: 14
形式電荷: 0
複雑度: 156

物理化学的性質

融点: 152 · 152-153 °C
沸点: 354 · 354.0±22.0 °C(Predicted)
比重(密度): 1.121 · 1.121±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: crystalline powder
酸解離定数(Pka): 5.93 · 5.93±0.10(Predicted)
色: Light yellow
InChI: 1S/C12H12N2/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-8H,9,13H2
InChIKey: WZXYYQHVDJMIFF-UHFFFAOYSA-N
SMILES: Nc1ccc(Cc2ccncc2)cc1
CAS データベース: 27692 · 27692-74-6(CAS DataBase Reference)

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, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.