5,6,7,8-テトラヒドロ-1,8-ナフチリジン-2-プロピルアミン 2HCL

3-(5,6,7,8-Tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine

HCID 9877599

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 206989-41-5
標準SMILES: NCCCc1ccc2c(n1)NCCC2
InChIKey: BWMYVZPZPGAOPC-UHFFFAOYSA-N
分子式: C11H17N3
平均分子量: 191.27 g/mol
単同位体質量: 191.14224754

概要

structure in first source

名称と識別子

優先名称: 3-(5,6,7,8-Tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine
IUPAC: 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine
現地名: 5,6,7,8-テトラヒドロ-1,8-ナフチリジン-2-プロピルアミン 2HCL
英語名: 5,6,7,8-Tetrahydro-1,8-naphthyridin-2-propylamine
分子式: C11H17N3
分子量: 191.27

名称と別名

206989-41-53-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amineRefChem:4934443-(THN)PA676-174-25,6,7,8-Tetrahydro-1,8-naphthyridin-2-propylamine5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-2-PROPYLAMINE 2HCL1,8-NAPHTHYRIDINE-2-PROPANAMINE, 5,6,7,8-TETRAHYDRO-MFCD041153593-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-propylamineSCHEMBL4716711SCHEMBL6896978

名称をさらに表示

5,6,7,8-テトラヒドロ-1,8-ナフチリジン-2-プロピルアミン 2HCL8-Naphthyridin-2-propylaMine3-(5,6,7,8-Tetrahydro-1,8-naphthyridin-2-yl)-1-propanamine3-(1,5,6,7-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine3-(5,6,7,8-Tetrahydro-1,8-naphthyridin-2-yl)propane-1-amine

DTXSID90432179BWMYVZPZPGAOPC-UHFFFAOYSA-NAKOS006343005MB03306SY474447DB-066300CS-0199832EN300-2670940

データベース識別子

CAS: 206989-41-5
PubChem CID: 9877599
DTXSID: DTXSID90432179
EC Number: 676-174-2
Nikkaji: J1.584.042K

物性

構造計算による物性

XLogP: 1.3
極性表面積: 50.9 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 14
形式電荷: 0
複雑度: 172

物理化学的性質

融点: 66 · 66-68.5 °C
沸点: 407.2 · 407.2±37.0 °C(Predicted)
比重(密度): 1.2 · 1.20±0.1 g/cm3(Predicted)
酸解離定数(Pka): 10.81 · 10.81±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.