N-(2-ピリジニルメチル)エタンアミン

N-(pyridin-2-ylmethyl)ethanamine

HCID 4723804CAS 51639-58-8

部分構造検索類似構造を探す

基本情報

標準SMILES: CCNCc1ccccn1
InChIKey: BQSUUGOCTJVJIF-UHFFFAOYSA-N
分子式: C8H12N2
平均分子量: 136.19 g/mol
単同位体質量: 136.10004838

名称と識別子

優先名称: N-(pyridin-2-ylmethyl)ethanamine
IUPAC: N-(pyridin-2-ylmethyl)ethanamine
現地名: N-(2-ピリジニルメチル)エタンアミン
英語名: CHEMBRDG-BB 9070750
分子式: C8H12N2
分子量: 136.19

名称と別名

51639-58-8N-(pyridin-2-ylmethyl)ethanamineDTXSID00406028RefChem:1091466DTXCID30356880N-Ethyl-N-(2-pyridylmethyl)amineN-(2-PYRIDINYLMETHYL)ETHANAMINEMFCD07411568ethyl(pyridin-2-ylmethyl)amine2-Pyridinemethanamine, N-ethyl-ethyl[(pyridin-2-yl)methyl]amineethyl-pyridin-2-ylmethyl-amine

名称をさらに表示

N-(2-ピリジニルメチル)エタンアミンN-エチル-N-(2-ピリジルメチル)アミンAKOS ISYA00851AKOS LT-1125X501CHEMBRDG-BB 9070750N-(Pyridin-2-ylmethyl)UKRORGSYN-BB BBV-040220N-ethyl-2-PyridineMethanaMine

STK511427SB52299CS-0151964EN300-102696_x000D_N-Ethyl-N-(2-pyridylmethyl)amineA21962N-Ethyl-2-pyridylmethylamineN-(2-Pyridinylmethyl)ethanam

データベース識別子

CAS: 51639-58-8
PubChem CID: 4723804
DTXSID: DTXSID00406028
EC Number: 172-465-9

物性

構造計算による物性

XLogP: 0.7
極性表面積: 24.9 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: 3
重原子数: 10
形式電荷: 0
複雑度: 83.3

物理化学的性質

貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: solid
InChI: 1S/C8H12N2/c1-2-9-7-8-5-3-4-6-10-8/h3-6,9H,2,7H2,1H3
InChIKey: BQSUUGOCTJVJIF-UHFFFAOYSA-N
SMILES: CCNCC1=NC=CC=C1

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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.