N-[(2-Chloro-3-pyridinyl)carbonyl]phenylalanine

Modify Date: 2025-09-28 15:32:18

N-[(2-Chloro-3-pyridinyl)carbonyl]phenylalanine structure	Common Name	N-[(2-Chloro-3-pyridinyl)carbonyl]phenylalanine
	CAS Number	76980-23-9	Molecular Weight	304.72800
	Density	1.362g/cm3	Boiling Point	549.6ºC at 760 mmHg
	Molecular Formula	C₁₅H₁₃ClN₂O₃	Melting Point	N/A
	MSDS	N/A	Flash Point	286.2ºC

Name	N-[(2-Chloro-3-pyridinyl)carbonyl]phenylalanine

Density	1.362g/cm3
Boiling Point	549.6ºC at 760 mmHg
Molecular Formula	C₁₅H₁₃ClN₂O₃
Molecular Weight	304.72800
Flash Point	286.2ºC
Exact Mass	304.06100
PSA	82.78000
LogP	2.73550
Index of Refraction	1.615
InChIKey	XYXVAIJEBDFXQB-UHFFFAOYSA-N
SMILES	O=C(NC(Cc1ccccc1)C(=O)O)c1cccnc1Cl

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AY4386000

CHEMICAL NAME :: Alanine, N-(2-chloronicotinoyl)-3-phenyl-

CAS REGISTRY NUMBER :: 76980-23-9

LAST UPDATED :: 199712

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C15-H13-Cl-N2-O3

MOLECULAR WEIGHT :: 304.75

WISWESSER LINE NOTATION :: T6NJ BG CVMYVQ1R

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 :: 500 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity)

REFERENCE :: PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 14,612,1980

DL-Phenylalanine

CAS#:150-30-1

p-Nitrophenyl 2...

CAS#:76980-32-0

~70%

N-[(2-Chloro-3-...

CAS#:76980-23-9

Literature: Zhmurenko, L. A.; Borisenko, S. A.; Glozman, O. M.; Ostrovskaya, R. U.; Burov, Yu. V.; Zagorevskii, V. A. Pharmaceutical Chemistry Journal, 1980 , vol. 14, # 9 p. 612 - 617 Khimiko-Farmatsevticheskii Zhurnal, 1980 , vol. 14, # 9 p. 49 - 55

2-Chloronicotin...

CAS#:2942-59-8

N-[(2-Chloro-3-...

CAS#:76980-23-9

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N-[(2-Chloro-3-pyridinyl)carbonyl]phenylalanine

Names

Chemical & Physical Properties

Toxicological Information