4-[(PYRIDIN-3-YLMETHYL)-AMINO]-BENZOIC ACID

Modify Date: 2025-09-09 16:39:43

4-[(PYRIDIN-3-YLMETHYL)-AMINO]-BENZOIC ACID Structure
4-[(PYRIDIN-3-YLMETHYL)-AMINO]-BENZOIC ACID structure
Common Name 4-[(PYRIDIN-3-YLMETHYL)-AMINO]-BENZOIC ACID
CAS Number 62402-45-3 Molecular Weight 293.78900
Density 1.093g/cm3 Boiling Point 383.9ºC at 760 mmHg
Molecular Formula C16H20ClNO2 Melting Point N/A
MSDS N/A Flash Point 204.8ºC

 Names

Name 1,2-bis(4-methoxyphenyl)ethanamine

 Chemical & Physical Properties

Density 1.093g/cm3
Boiling Point 383.9ºC at 760 mmHg
Molecular Formula C16H20ClNO2
Molecular Weight 293.78900
Flash Point 204.8ºC
Exact Mass 293.11800
PSA 44.48000
LogP 4.44860
Index of Refraction 1.569
InChIKey ROLAGNYPWIVYTG-UHFFFAOYSA-N
SMILES COc1ccc(CC(N)c2ccc(OC)cc2)cc1.Cl

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SH8100000
CHEMICAL NAME :
Phenethylamine, 4-methoxy-alpha-(4'-methoxyphenyl)-, hydrochloride
CAS REGISTRY NUMBER :
62402-45-3
LAST UPDATED :
199112
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C16-H19-N-O2.Cl-H
MOLECULAR WEIGHT :
293.82
WISWESSER LINE NOTATION :
1OR DYZ1R DO1 &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 77,317,1943
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
222 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Behavioral - muscle contraction or spasticity
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 39,354,1950

 Safety Information

HS Code 2922199090

 Customs

HS Code 2922199090
Summary 2922199090. other amino-alcohols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
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