2-pyridin-1-ium-1-ylacetic acid

Modify Date: 2025-09-18 17:54:50

2-pyridin-1-ium-1-ylacetic acid structure	Common Name	2-pyridin-1-ium-1-ylacetic acid
	CAS Number	63731-90-8	Molecular Weight	138.14400
	Density	N/A	Boiling Point	461.3ºC at 760 mmHg
	Molecular Formula	C₇H₈NO₂+	Melting Point	N/A
	MSDS	N/A	Flash Point	232.8ºC

Name	2-pyridin-1-ium-1-ylacetic acid

Boiling Point	461.3ºC at 760 mmHg
Molecular Formula	C₇H₈NO₂+
Molecular Weight	138.14400
Flash Point	232.8ºC
Exact Mass	138.05600
PSA	41.18000
LogP	0.05870
InChIKey	BGPCDHMGMBKMLV-UHFFFAOYSA-N
SMILES	Cl.O=C(C=Cc1ccccc1)Nc1ccccn1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UC6479000

CHEMICAL NAME :: 2-Propenamide, 3-phenyl-N-2-pyridinyl-, monohydrochloride

CAS REGISTRY NUMBER :: 63731-90-8

LAST UPDATED :: 199012

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C14-H12-N2-O.Cl-H

MOLECULAR WEIGHT :: 260.74

WISWESSER LINE NOTATION :: T6NJ BMV1U1R &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

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