4-(アミノメチル)ビフェニル

4-Phenylbenzylamine

HCID 344989

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基本情報

CAS: 712-76-5
標準SMILES: NCc1ccc(-c2ccccc2)cc1
InChIKey: RMSPOVPGDBDYKH-UHFFFAOYSA-N
分子式: C13H13N
平均分子量: 183.25 g/mol
単同位体質量: 183.10479942

名称と識別子

優先名称: 4-Phenylbenzylamine
IUPAC: (4-phenylphenyl)methanamine
現地名: 4-(アミノメチル)ビフェニル
英語名: 4-PHENYLBENZYLAMINE
分子式: C13H13N
分子量: 183.25

名称と別名

4-PhenylbenzylamineDTXSID60322856RefChem:526403DTXCID60273975628-115-7712-76-5[1,1'-Biphenyl]-4-ylmethanamine(4-phenylphenyl)methanamine4-(aminomethyl)biphenyl4-phenylbenzyl amineMFCD01310838Biphenyl-4-ylmethanamine

名称をさらに表示

4-(アミノメチル)ビフェニル4-フェニルベンジルアミン1-{[1,1'-ビフェニル]-4-イル}メタンアミン4-ビフェニリルメタンアミンビフェニル-4-メタンアミン1,1′-ビフェニル-4-メタンアミン4-ビフェニリルメチルアミンAKOS BBS-000068034-PhenylenzylamineRARECHEM AL BW 01724-PhenylbenzylaMine 97%4-Phenylbenzylamine ,98%BIPHENYL-4-YL-METHYLAMINE

4-Biphenylmethylamine1,1'-biphenyl-4-ylmethylamine(biphenyl-4-ylmethyl)amine(4-phenylphenyl)methylamineAR1994AKOS000131316[1,1'-Biphenyl]-4-methanamineC-biphenyl-4-yl-methylamine

データベース識別子

CAS: 712-76-5
PubChem CID: 344989
DTXSID: DTXSID60322856
ChEMBL: CHEMBL216761
EC Number: 628-115-7
Nikkaji: J1.384.688J

物性

構造計算による物性

XLogP: 3.1
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 153

物理化学的性質

融点: 48 · 48-53 °C (lit.)
沸点: 138 °C · 138°C 5mm
比重(密度): 1.048 · 1.048±0.06 g/cm3(Predicted)
闪点: 225 °F · 225 °F
貯蔵温度: 2 · Storage temp. 2-8°C
酸解離定数(Pka): 9.05 · 9.05±0.10(Predicted)
InChI: 1S/C13H13N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10,14H2
InChIKey: RMSPOVPGDBDYKH-UHFFFAOYSA-N
SMILES: NCc1ccc(cc1)-c2ccccc2
CAS データベース: 712 · 712-76-5(CAS DataBase Reference)

化学的性質

化学的特性White solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 42 reports by companies from 5 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

安全データ

wgk: 3
hs_code: 29214990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用4-Phenylbenzylamine may be used in the synthesis of:squaric acid asymmetric diamides of glycopeptide antibioticsasymmetric diamides of daunomycin and carminomycinN-(biphenyl-4-ylmethyl)-1-hydroxy-6-thioxo-1,6-dihydropyridine-2-carboxamide4-Phenylbenzylamine may also be used in the synthesis of Gd3+ chelates of DOTA(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate) type ligands.