N-ベンジル-p-アニシジン

N-Benzyl-4-methoxyaniline

HCID 519413

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 17377-95-6
標準SMILES: COc1ccc(NCc2ccccc2)cc1
InChIKey: LIJJGMDKVVOEFT-UHFFFAOYSA-N
分子式: C14H15NO
平均分子量: 213.27 g/mol
単同位体質量: 213.1153641

名称と識別子

優先名称: N-Benzyl-4-methoxyaniline
IUPAC: N-benzyl-4-methoxyaniline
現地名: N-ベンジル-p-アニシジン
英語名: N-BENZYL-4-METHOXYANILINE
分子式: C14H15NO
分子量: 213.27

名称と別名

N-Benzyl-4-methoxyaniline17377-95-6N-Benzyl-p-anisidineDTXSID50334009RefChem:162940DTXCID20285099677-180-8LIJJGMDKVVOEFT-UHFFFAOYSA-NBenzenemethanamine, N-(4-methoxyphenyl)-MFCD00059298N-Benzyl-N-(4-methoxyphenyl)amineN-benzyl-4-methoxy-aniline

名称をさらに表示

N-ベンジル-p-アニシジンN-(4-メトキシフェニル)ベンジルアミンN-(4-メトキシフェニル)ベンゼンメタンアミンベンジル(4-メトキシフェニル)アミン4-メトキシ-N-ベンジルアニリンN-ベンジル-4-メトキシアニリンN-ベンジル-P-メトキシアニリンN-ベンジル-4-メトキシアニリン, 99%N-ベンジル-4-メトキシベンゼンアミンN-(p-メトキシフェニル)ベンジルアミンBenzylanisidineN-Benzyl-p-anisidinn-benzyl-4-anisidineN-Benzyl-p-anisidine >N-BENZYL-P-METHOXYANILINEN-BENZYL-4-METHOXYBENZENAMINEBENZYL-(4-METHOXY-PHENYL)-AMINE

(4-methoxyphenyl)benzylamineN-benzyl-p-methoxyanilineN-(4-methoxyphenyl)benzylamineN-(4-methoxyphenyl)-N-benzylamineN-benzyl-para-anisidineCambridge id 5107549Oprea1_078973CHEMBL237233

データベース識別子

CAS: 17377-95-6
PubChem CID: 519413
DTXSID: DTXSID50334009
ChEMBL: CHEMBL237233
EC Number: 677-180-8
Nikkaji: J151.169F

物性

構造計算による物性

XLogP: 3.1
極性表面積: 21.3 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: 4
重原子数: 16
形式電荷: 0
複雑度: 181

物理化学的性質

融点: 48 · 48-50°C
沸点: 138 · 138-140°C 0,1mm
比重(密度): 1.101 · 1.101±0.06 g/cm3(Predicted)
闪点: 138 · 138-140°C/0.1mm
貯蔵温度: 2 · 2-8°C, protect from light
酸解離定数(Pka): 4.62 · 4.62±0.20(Predicted)
外見: powder to crystal
色: Light yellow to Brown
BRN: 1877781 · 1877781
CAS データベース: 17377 · 17377-95-6(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (16.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (16.7%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H312 (83.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H331 (16.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H332 (83.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P262, P264, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P316, P317, P321, P330, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 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. 3 (16.7%)；Acute Tox. 4 (83.3%)；Acute Tox. 3 (16.7%)；Acute Tox. 4 (83.3%)；Acute Tox. 3 (16.7%)；Acute Tox. 4 (83.3%)