ジフェニルベンジルアミン

Benzyldiphenylamine

HCID 69080CAS 606-87-1

部分構造検索類似構造を探す

基本情報

標準SMILES: c1ccc(CN(c2ccccc2)c2ccccc2)cc1
InChIKey: FKJARBPQBIATJT-UHFFFAOYSA-N
分子式: C19H17N
平均分子量: 259.3 g/mol
単同位体質量: 259.13609955

名称と識別子

優先名称: Benzyldiphenylamine
IUPAC: N-benzyl-N-phenylaniline
現地名: ジフェニルベンジルアミン
英語名: BENZYL-DIPHENYL-AMINE
分子式: C19H17N
分子量: 259.35

名称と別名

606-87-1BenzyldiphenylamineN,N-DiphenylbenzenemethanamineEINECS 210-127-5DTXSID20209412RefChem:566954DTXCID40131903210-127-5N-benzyl-N-phenylanilineN,N-Diphenylbenzylaminebenzyl-diphenyl-aminediphenylbenzylamine

名称をさらに表示

ジフェニルベンジルアミンN-ベンジルジフェニルアミンベンジルジフェニルアミンN,N-ジフェニルベンジルアミンN-フェニル-N-ベンジルベンゼンアミンN,N-ジフェニルベンゼンメタンアミンジフェニル(ベンジル)アミンN-ベンジル-N-フェニルアニリンN-フェニル-N-ベンジルアニリンN-BENZYLDIPHENYLAMINEDiphenyl(benzyl)amineN-Benzyl-N-phenylbenzenamineN,N-diphenylbenzenemethylamineN-phenyl-N-(phenylmethyl)aniline

MFCD00092745Benzenemethanamine, N,N-diphenyl-N,N-DiphenylbenzylaminN-benzyl-N-phenyl-anilineSCHEMBL918512N,N-diphenyl-benzenemethanamineSCHEMBL5843435SCHEMBL6157580

データベース識別子

CAS: 606-87-1
PubChem CID: 69080
DTXSID: DTXSID20209412
EC Number: 210-127-5
Nikkaji: J7.005J

物性

構造計算による物性

XLogP: 5.8
極性表面積: 3.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 4
重原子数: 20
形式電荷: 0
複雑度: 239

物理化学的性質

融点: 88 · 88-89℃ (ethanol )
沸点: 392.6 °C · 392.6°C (rough estimate)
比重(密度): 0.9242 · 0.9242 (rough estimate)
屈折率: 1.75 · 1.7500 (estimate)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 0.47 · 0.47±0.50(Predicted)

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]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 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 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)；Aquatic Acute 1 (100%)；Aquatic Chronic 1 (100%)