1-[4-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperazin-1-yl]propan-2-ol,oxalic acid

Names

[ CAS No. ]:
2323-36-6

[ Name ]:
1-[4-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperazin-1-yl]propan-2-ol,oxalic acid

Chemical & Physical Properties

[ Density]:
0.954g/cm3

[ Boiling Point ]:
272.5ºC at 760mmHg

[ Melting Point ]:
141-142ºC

[ Molecular Formula ]:
C₁₃H₁₇N

[ Molecular Weight ]:
187.28100

[ Flash Point ]:
108.4ºC

[ Exact Mass ]:
187.13600

[ PSA ]:
3.24000

[ LogP ]:
2.18260

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SH6049000

CHEMICAL NAME :: Phenethylamine, N,alpha-dimethyl-N-2-propynyl-

CAS REGISTRY NUMBER :: 2323-36-6

LAST UPDATED :: 199509

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C13-H17-N

MOLECULAR WEIGHT :: 187.31

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 :: 200 mg/kg

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

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 31,1253,1988 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 66 mg/kg

SEX/DURATION :: female 2-23 day(s) after conception

TOXIC EFFECTS :: Reproductive - Maternal Effects - parturition Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Effects on Newborn - behavioral

REFERENCE :: NEROEW Neuropsychopharmacology. (Elsevier Science, 655 Avenue of the Americas, New York, NY 10010) V.1- 1987- Volume(issue)/page/year: 11,125,1994

Safety Information

[ RIDADR ]:
UN 1851

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

(-)-2-[methylamino]-1-phenylpropane
3-Bromopropyne
(2R)-1-phenyl-N-prop-2-ynylpropan-2-amine
methyl iodide
3-Phenylpropanal
(S)-1-PHENYLPROPAN-2-OL
(R)-(2,3-epoxypropyl)-benzene
1,2-Propanediol,3-phenyl-
(R)-3-phenyl-2-(N-phenyl-aminooxy)-propan-1-ol

DownStream

Related Compounds

(3R)-3-{2-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)phenyl]acetamido}butanoic acid
4-[3-(benzyloxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]benzoic acid
1-[3-(benzyloxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoyl]-1,2,3,6-tetrahydropyridine-4-carboxylic acid
3-{[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclobutyl]formamido}hexanoic acid
3-[benzyl(methyl)amino]-2-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]propanoic acid
rac-1-[(3R,5R)-5-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]oxolane-3-carbonyl]-3-methylazetidine-3-carboxylic acid
rac-2-{1-[(3R,5R)-5-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]oxolan-3-yl]-N-(prop-2-yn-1-yl)formamido}acetic acid
(2S)-1-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methylpropanoyl]-4,4-difluoropyrrolidine-2-carboxylic acid
(2S)-1-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoyl]-4,4-difluoropyrrolidine-2-carboxylic acid
5-{[(2S,3S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylpentanamido]methyl}oxolane-3-carboxylic acid

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