3-(1-trityl-1H-imidazol-4-yl)propan-1-amine

HCID 15345825

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 195053-89-5
標準SMILES: NCCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIKey: PQVLJKLTNMOGBT-UHFFFAOYSA-N
分子式: C25H25N3
平均分子量: 367.5 g/mol
単同位体質量: 367.20484781

名称と識別子

優先名称: 3-(1-trityl-1H-imidazol-4-yl)propan-1-amine
IUPAC: 3-(1-tritylimidazol-4-yl)propan-1-amine
英語名: 3-(1-Trityl-1H-imidazol-4-yl)-propan-1-ylamine
分子式: C25H25N3
分子量: 367.49

名称と別名

195053-89-53-(1-trityl-1H-imidazol-4-yl)propan-1-amine3-(1-Trityl-1H-imidazol-4-yl)-propylamine3-(1-tritylimidazol-4-yl)propan-1-amineMFCD077841523-(1-trityl-1h-imidazol-4-yl)-propan-1-ylamine3-[1-(Triphenylmethyl)-1H-imidazol-4-yl]propan-1-amine1H-Imidazole-4-propanamine, 1-(triphenylmethyl)-C25H25N33-(1-triphenylmethylimidazol-4-yl)propylamineSCHEMBL1309013DTXSID10571791

名称をさらに表示

4-(3-aminopropyl)-1-(triphenylmethyl)-imidazole

PQVLJKLTNMOGBT-UHFFFAOYSA-NAKOS015901713AC-17218AS-385303-(1-trityl-1H-imidazol-4-yl)propylamine3-(1-trityl-1H-imidazol-4-yl) propylamineCS-01712653-(1-Trityl-1H-imidazol-4-yl)-propyl amine

データベース識別子

CAS: 195053-89-5
PubChem CID: 15345825
DTXSID: DTXSID10571791
EC Number: 675-827-9

物性

構造計算による物性

XLogP: 4.5
極性表面積: 43.8 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: 7
重原子数: 28
形式電荷: 0
複雑度: 401

物理化学的性質

融点: 106 · 106-108 °C
沸点: 526.6 · 526.6±38.0 °C(Predicted)
比重(密度): 1.08 · 1.08±0.1 g/cm3(Predicted)
酸解離定数(Pka): 9.94 · 9.94±0.10(Predicted)

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 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.