N-(5-(phenylamino)penta-2,5-dienylidene)aniline monohydrochloride

HCID 73902CAS 1497-49-0

基本情報

標準SMILES: C(=CC=Nc1ccccc1)C=CNc1ccccc1.Cl
InChIKey: VUCMMJBDNXZQDJ-UHFFFAOYSA-N
分子式: C17H17ClN2
平均分子量: 284.8 g/mol
単同位体質量: 284.10802622

名称と識別子

優先名称: N-(5-(phenylamino)penta-2,5-dienylidene)aniline monohydrochloride
IUPAC: N-(5-phenyliminopenta-1,3-dienyl)aniline;hydrochloride

名称と別名

N-(5-(Phenylamino)penta-2,5-dienylidene)aniline monohydrochlorideN-[5-(phenylamino)penta-2,5-dienylidene]aniline monohydrochlorideRefChem:828019Glutacondianil hydrochloridePentadienedianiline hydrochloride6L65XPG9ERGlutaconaldehyde dianilide hydrochlorideDTXSID7044398Indocyanine Green Impurity 14Glutaconic aldehyde dianilide (hydrochloride)N-((1E,3E,5E)-5-(phenylimino)penta-1,3-dien-1-yl)aniline hydrochlorideGlutaconaldehyde dianil chloride

名称をさらに表示

N-(5-phenyliminopenta-1,3-dienyl)aniline;hydrochlorideN-(5-(Phenylimino)penta-1,3-dien-1-yl)aniline hydrochlorideN-[5-(Phenylimino)-1,3-pentadien-1-yl]aniline hydrochloride (1:1)Benzenamine, N-(5-(phenylamino)-2,4-pentadienylidene)-, monohydrochlorideBenzenamine, N-[5-(phenylamino)-2,4-pentadienylidene]-, monohydrochlorideN-[(1E,3E,5E)-5-(PHENYLIMINO)PENTA-1,3-DIEN-1-YL]ANILINE HYDROCHLORIDEN-[5-(Phenylamino)-2,4-pentadienylidene]aniline monohydrochlorideGlutaconaldehydedianil hydrochloride

データベース識別子

CAS: 1497-49-0
PubChem CID: 73902
DTXSID: DTXSID7044398
UNII: 6L65XPG9ER
EC Number: 216-094-3

物性

構造計算による物性

極性表面積: 24.4 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 5
重原子数: 20
形式電荷: 0
複雑度: 305

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, 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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.