1,3,3-トリメチル-6-アザビシクロ[3.2.1]オクタン

1,3,3-Trimethyl-6-azabicyclo(3.2.1)octane

HCID 103787CAS 53460-46-1

部分構造検索類似構造を探す

基本情報

標準SMILES: CC1(C)CC2CC(C)(CN2)C1
InChIKey: FRAKHUZTNLUGPB-UHFFFAOYSA-N
分子式: C10H19N
平均分子量: 153.26 g/mol
単同位体質量: 153.15174961

名称と識別子

優先名称: 1,3,3-Trimethyl-6-azabicyclo(3.2.1)octane
IUPAC: 1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
現地名: 1,3,3-トリメチル-6-アザビシクロ[3.2.1]オクタン
英語名: 1,3,3-Trimethyl-6-aza-bicyclo[3.2.1]octane
分子式: C10H19N
分子量: 153.26

名称と別名

1,3,3-TRIMETHYL-6-AZABICYCLO[3.2.1]OCTANE53460-46-11,3,3-Trimethyl-6-azabicyclo(3.2.1)octane6-Azabicyclo[3.2.1]octane, 1,3,3-trimethyl-6-Azabicyclo(3.2.1)octane, 1,3,3-trimethyl-DTXSID30886056RefChem:72218DTXCID108941591,3,3-TABO258-569-8EINECS 258-569-8MFCD00066934

名称をさらに表示

4,4,6-トリメチル-2,6-メタノヘキサヒドロ-1H-アゼピン3,3,5-トリメチル-7-アザビシクロ[3.2.1]オクタン1,3,3-トリメチル-6-アザビシクロ[3.2.1]オクタンRAC-(1S,5R)-1,3,3-トリメチル-6-アザビシクロ[3.2.1]オクタンAURORA KA-5720LABOTEST-BB LT000530303,3,5-Trimethyl-7-azabicyclo[3.2.1]octane1,3,3-Trimethyl-6-aza-bicyclo[3.2.1]octane1,3,3-Trimethyl-6-azabicyclo[3.2.1]octane,97%4,4,6-Trimethyl-2,6-methanohexahydro-1H-azepine(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane(SALTDATA: FREE)

(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octanerac-(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octaneSCHEMBL55793SCHEMBL212343SCHEMBL6242412ALBB-013681SBB056751AKOS005174030

データベース識別子

CAS: 53460-46-1
PubChem CID: 103787
DTXSID: DTXSID30886056
EC Number: 258-569-8
Nikkaji: J295.963A

物性

構造計算による物性

XLogP: 2.3
極性表面積: 12 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 174

物理化学的性質

融点: 93 °C · 93°C
沸点: 266.22 °C · 266.22°C (rough estimate)
比重(密度): 0.927 · 0.9270 (rough estimate)
屈折率: 1.522 · 1.5220 (estimate)
貯蔵温度: Store at Room Tem.
EPAの化学物質情報: 6 · 6-Azabicyclo[3.2.1]octane, 1,3,3-trimethyl- (53460-46-1)

化学的性質

化学的特性CLEAR COLOURLESS LIQUID

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H400 (98.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (98.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 107 reports by companies from 4 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.