2,3,4,6,7,8,9,10-Octahydro-1H-pyrimido[1,2-a]azepin-5-ium 4-methy lbenzenesulfonate

Modify Date: 2025-08-21 19:24:34

2,3,4,6,7,8,9,10-Octahydro-1H-pyrimido[1,2-a]azepin-5-ium 4-methy lbenzenesulfonate structure	Common Name	2,3,4,6,7,8,9,10-Octahydro-1H-pyrimido[1,2-a]azepin-5-ium 4-methy lbenzenesulfonate
	CAS Number	51376-18-2	Molecular Weight	324.43800
	Density	N/A	Boiling Point	540.5ºC at 760mmHg
	Molecular Formula	C₁₆H₂₄N₂O₃S	Melting Point	70.9-90.7ºC(lit.)
	MSDS	Chinese USA	Flash Point	N/A
	Symbol	GHS07	Signal Word	Warning

Name	2,3,4,6,7,8,9,10-Octahydro-1H-pyrimido[1,2-a]azepin-5-ium 4-methy lbenzenesulfonate
Synonym	More Synonyms

Boiling Point	540.5ºC at 760mmHg
Melting Point	70.9-90.7ºC(lit.)
Molecular Formula	C₁₆H₂₄N₂O₃S
Molecular Weight	324.43800
Exact Mass	324.15100
PSA	78.35000
LogP	3.36060
InChIKey	VAIAHWBLSPENDF-UHFFFAOYSA-N
SMILES	C1CCC2=NCCCN2CC1.Cc1ccc(S(=O)(=O)O)cc1

MSDS(Chinese)

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H315-H319-H335
Precautionary Statements	P261-P305 + P351 + P338
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xi
Risk Phrases	36/37/38
Safety Phrases	26-36
RIDADR	NONH for all modes of transport

p-Toluenesulfon...

CAS#:104-15-4

DBU

CAS#:6674-22-2

~81%

2,3,4,6,7,8,9,1...

CAS#:51376-18-2

Literature: INTERNATIONAL BUSINESS MACHINES CORPORATION Patent: US2012/46437 A1, 2012 ; Location in patent: Page/Page column 16 ;

Precursor 2
CAS#:104-15-4 p-Toluenesulfon... CAS#:6674-22-2 DBU
DownStream 0

EINECS 257-164-3

MFCD02093621

Names