Benzenamine, 4-(dicyclohexylphosphino)-N,N-dimethyl-

HCID 142458

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基本情報

CAS: 40438-64-0
標準SMILES: CN(C)c1ccc(P(C2CCCCC2)C2CCCCC2)cc1
InChIKey: RKUHKZXJHGGGSK-UHFFFAOYSA-N
分子式: C20H32NP
平均分子量: 317.4 g/mol
単同位体質量: 317.22723665

名称と識別子

優先名称: Benzenamine, 4-(dicyclohexylphosphino)-N,N-dimethyl-
IUPAC: 4-dicyclohexylphosphanyl-N,N-dimethylaniline
英語名: Dicyclohexyl(4-(N,N-dimethylamino)phenyl)phosphine
分子式: C20H32NP
分子量: 317.45

名称と別名

40438-64-0DICYCLOHEXYL(4-(N,N-DIMETHYLAMINO)PHENYL)PHOSPHINEBenzenamine, 4-(dicyclohexylphosphino)-N,N-dimethyl-DTXSID40193460RefChem:561860DTXCID50115951622-730-44-(Dicyclohexylphosphino)-N,N-dimethylaniline4-dicyclohexylphosphanyl-N,N-dimethylanilineMFCD11044859Dicyclohexyl(4-(N,N-diMethylaMino)phenyl)phosphine,95%C20H32NP

名称をさらに表示

DICYCLOHEXYL(4-(N,N-DIMETHYLAMINO)PHENYL)PHOSPHINDicyclohexyl(4-(N,N- dimethylamin)phenyl)-phosphin[4-(N,N-dimethylamino)phenyl]dicyclohexylphosphine4-(dicyclohexylphosphinoyl)-N,N-dimethylbenzeneamine

4-(DICYCLOHEXYLPHOSPHANYL)-N,N-DIMETHYLANILINEBenzenamine,4-(dicyclohexylphosphino)-N,N-dimethyl-SCHEMBL14742456CS-W016716SY273706Dicyclohexyl(4-dimethylaminophenyl)phosphine4-dicyclohexylphosphanyl-N,N-dimethyl-anilinep-(Dicyclohexylphosphenyl)-N,N-dimethylaniline

データベース識別子

CAS: 40438-64-0
PubChem CID: 142458
DTXSID: DTXSID40193460
EC Number: 622-730-4
Nikkaji: J2.989.756E

物性

構造計算による物性

XLogP: 5.2
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: 22
形式電荷: 0
複雑度: 292

物理化学的性質

融点: 103 · 103-108 °C
沸点: 446.5 · 446.5±28.0 °C(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: solid
酸解離定数(Pka): 4.66 · 4.66±0.24(Predicted)
InChI: InChI=1S/C20H32NP/c1-21(2)17-13-15-20(16-14-17)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h13-16,18-19H,3-12H2,1-2H3
InChIKey: RKUHKZXJHGGGSK-UHFFFAOYSA-N
SMILES: C1(N(C)C)=CC=C(P(C2CCCCC2)C2CCCCC2)C=C1

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.