CAS 56129-55-6 1-(Pyridin-3-yl)ethan-1-amine (HCID 2771688)

基本情報

CAS: 56129-55-6
標準SMILES: CC(N)c1cccnc1
InChIKey: IQVQNBXPYJGNEA-UHFFFAOYSA-N
分子式: C7H10N2
平均分子量: 122.17 g/mol
単同位体質量: 122.08439832

名称と識別子

優先名称: 1-(Pyridin-3-yl)ethan-1-amine
IUPAC: 1-pyridin-3-ylethanamine
現地名: 3-(1-アミノエチル)ピリジン
英語名: 1-Pyridin-3-yl-ethylamine
分子式: C7H10N2
分子量: 122.17

名称と別名

1-(PYRIDIN-3-YL)ETHAN-1-AMINEDTXSID60971500alpha-methyl-3-pyridinemethanamineRefChem:428555DTXCID60870463679-483-01-Pyridin-3-yl-ethylamine56129-55-61-(pyridin-3-yl)ethanamine1-(3-Pyridyl)ethylamine1-pyridin-3-ylethanamine3-(1-Aminoethyl)pyridine

名称をさらに表示

3-(1-アミノエチル)ピリジン1-(3-pyridinyl)ethanamine1-(3-Pyridyl)ethylamine, 96%α-Methyl-3-pyridinemethanamine3-PyridineMethanaMine, a-Methyl-3-Pyridinemethanamine, α-methyl-

MFCD01691641BRN 0110124alpha-Methyl-3-pyridinemethylamine3-Pyridinemethylamine, alpha-methyl-1-(pyridin-3-yl)ethanarninerac-1-pyridine-3-yl-ethylamineHMS1748H115-22-09-00392 (Beilstein Handbook Reference)

データベース識別子

CAS: 56129-55-6
PubChem CID: 2771688
DTXSID: DTXSID60971500
EC Number: 679-483-0

物性

構造計算による物性

XLogP: 0.1
極性表面積: 38.9 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: 1
重原子数: 9
形式電荷: 0
複雑度: 83

物理化学的性質

融点: 63 °C · 63 °C
沸点: 118 · 118-120 °C(Press: 14 Torr)
比重(密度): 1.014 g/cm3 · 1.014 g/cm3(Temp: 25 °C)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
酸解離定数(Pka): 8.81 · 8.81±0.29(Predicted)
外見: liquid
色: Colourless
InChI: 1S/C7H10N2/c1-6(8)7-3-2-4-9-5-7/h2-6H,8H2,1H3
InChIKey: IQVQNBXPYJGNEA-UHFFFAOYSA-N
SMILES: NC(C)c1cnccc1
CAS データベース: 56129 · 56129-55-6(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (83%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (83%)

安全データ

wgk: 3
ridadr: UN2735
hs_code: 2933399990
risk_code: 25-41-43-37/38
hazard_code: T,Xi
safety_code: 26-36/37/39-45-39
hazard_class: 8
packing_group: III
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Sens. 1
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects