3-(1-Methyl-1-oxido-2-pyrrolidinyl)pyridine

Nicotine Impurity 5 · Nicotine-1'-N-oxide · nicotine N(1')-oxide · Nicotine EP Impurity E · rac-NicotineEPImpurityE · 3-(1-Methyl-2-pyrrolidinyl)pyridine, N-oxide · Pyridine, 3-(1-methyl-1-oxido-2-pyrrolidinyl)- · 3-(1-methyl-1-oxidopyrrolidin-1-ium-2-yl)pyridine

https://huagongshe.com/ja/chemical/409

3-(1-Methyl-1-oxido-2-pyrrolidinyl)pyridine の分子構造式

識別子と物理属性

CAS No.	63551-14-4
分子式	C10H14N2O
平均分子量	178.23 g/mol
単同位体質量	178.11061307 g/mol
SMILES	C[N+]1([O-])CCCC1c1cccnc1
InChIKey	RWFBQHICRCUQJJ-UHFFFAOYSA-N
PubChem CID	409
ChEBI	CHEBI:30734
EC No.	112-181-4
DTXSID	DTXSID601262724

化学・物理的性質

XLogP	0.7
極性表面積	31
水素結合供与体数	0
水素結合受容体数	2
回転可能結合数	1
重原子数	13
形式電荷	0
複雑度	186
物質分類	Stimulant
LogP（分配係数）	1.17
溶解度	1000 mg/mL
融点	-79 °C
Physical Description	Liquid
pKa（酸解離定数）	4.63±0.40(Predicted)

安全性と法規制

GHS 分類	DangerH300+H310+H330 (100%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P260, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P332+P317, P361+P364, P362+P364, P391, 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.
Hazard Classes and Categories	Acute Tox. 2 (100%)

GHS 分類

DangerH300+H310+H330 (100%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P260, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P332+P317, P361+P364, P362+P364, P391, 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.

Hazard Classes and Categories

Acute Tox. 2 (100%)