8-メチル-8-アザビシクロ[3.2.1]オクタン-3-アミン

8-Methyl-8-azabicyclo[3.2.1]octan-3-amine

HCID 408394CAS 98998-25-5

部分構造検索類似構造を探す

基本情報

標準SMILES: CN1C2CCC1CC(N)C2
InChIKey: HJGMRAKQWLKWMH-UHFFFAOYSA-N
分子式: C8H16N2
平均分子量: 140.23 g/mol
単同位体質量: 140.13134852

名称と識別子

優先名称: 8-Methyl-8-azabicyclo[3.2.1]octan-3-amine
IUPAC: 8-methyl-8-azabicyclo[3.2.1]octan-3-amine
現地名: 8-メチル-8-アザビシクロ[3.2.1]オクタン-3-アミン
英語名: 3-Aminotropane
分子式: C8H16N2
分子量: 140.23

名称と別名

8-Methyl-8-azabicyclo[3.2.1]octan-3-amineDTXSID609129138-Methyl-8-azabicyclo(3.2.1)octan-3-amineRefChem:548282DTXCID70896710674-333-098998-25-5MFCD002106993-Amino-8-methyl-8-azabicyclo[3.2.1]octane8-methyl-8-azabicyclo[3.2.1]oct-3-ylamineEthanone,2-(methylsulfonyl)-1-(2-pyridinyl)-exo-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

名称をさらに表示

8-メチル-8-アザビシクロ[3.2.1]オクタン-3-アミン3α-アミノトロパン3-アミノトロパン3β-アミノトロパン3-Aminotropane8-methyl-8-azabicyclo[3.2.1]octan-3-ylamine8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-AMINE,96%8-Methyl-8-azabicyclo[3.2.1]octan-3-amine, 3-Aminotropane

8-Azabicyclo[3.2.1]octan-3-amine, 8-methyl-NSC13185SCHEMBL334182SCHEMBL2087753NSC-13185SBB021746AKOS000307828PB14179

データベース識別子

CAS: 98998-25-5
PubChem CID: 408394
DTXSID: DTXSID60912913
EC Number: 674-333-0
Nikkaji: J1.521.448A

物性

構造計算による物性

XLogP: 0.5
極性表面積: 29.3 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: 0
重原子数: 10
形式電荷: 0
複雑度: 121

物理化学的性質

融点: 124 · 124-125 °C(Solv: ethyl ether (60-29-7))
沸点: 82 ℃/8mm · 82℃/8mm
比重(密度): 0.99 · 0.990±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C(protect from light)
酸解離定数(Pka): 11.03 · 11.03±0.40(Predicted)
外見: solid
色: Light Yellow

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H226 (33.3%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 3 (33.3%)；Acute Tox. 4 (33.3%)；Acute Tox. 4 (33.3%)；Skin Corr. 1B (33.3%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2 (66.7%)；Acute Tox. 4 (33.3%)；STOT SE 3 (100%)