CAS 166954-15-0 [1-(Pyridin-4-yl)piperidin-4-yl]methanamine (HCID 10607746)

基本情報

CAS: 166954-15-0
標準SMILES: NCC1CCN(c2ccncc2)CC1
InChIKey: JVTMDVFGRFFOOB-UHFFFAOYSA-N
分子式: C11H17N3
平均分子量: 191.27 g/mol
単同位体質量: 191.14224756

名称と識別子

優先名称: [1-(Pyridin-4-yl)piperidin-4-yl]methanamine
IUPAC: (1-pyridin-4-ylpiperidin-4-yl)methanamine
現地名: 1-(4-ピリジニル)ピペリジン-4-メタンアミン
英語名: (1-(Pyridin-4-yl)piperidin-4-yl)methanamine
分子式: C11H17N3
分子量: 191.27

名称と別名

(1-(pyridin-4-yl)piperidin-4-yl)methanamine166954-15-0[1-(pyridin-4-yl)piperidin-4-yl]methanamineRefChem:391933842-085-44-Piperidinemethanamine, 1-(4-pyridinyl)-1-(4-pyridinyl)-4-piperidinemethanamineMFCD13192443(1-pyridin-4-ylpiperidin-4-yl)methanamineF2189-0667SCHEMBL785122SCHEMBL5760023

名称をさらに表示

1-[1-(ピリジン-4-イル)ピペリジン-4-イル]メタンアミン1-(4-ピリジニル)ピペリジン-4-メタンアミン1-[1-(pyridin-4-yl)piperidin-4-yl]methanamine

CHEMBL4564449JVTMDVFGRFFOOB-UHFFFAOYSA-NSMSSF-0613865RGA95415AKOS0110591651-(4-pyridyl)piperidine-4-methylamineSB415821-(4-pyridyl)piperidin-4-ylmethylamine

データベース識別子

CAS: 166954-15-0
PubChem CID: 10607746
ChEMBL: CHEMBL4564449
EC Number: 842-085-4
Nikkaji: J2.021.641G

物性

構造計算による物性

XLogP: 0.8
極性表面積: 42.2 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 158

物理化学的性質

沸点: 338.4 · 338.4±12.0 °C(Predicted)
比重(密度): 1.064 · 1.064±0.06 g/cm3(Predicted)
酸解離定数(Pka): 10.88 · 10.88±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.