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Product Name: Benzeneethanamine, 2,5-dimethoxy-4-(heptylthio)-, (Z)-2-butenedioate ( 1:1)
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129658-28-2

129658-28-2 structure

129658-28-2 structure

Name: Benzeneethanamine, 2,5-dimethoxy-4-(heptylthio)-, (Z)-2-butenedioate ( 1:1)
Chemical Name: but-2-enedioic acid,2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)ethanamine
CAS Number: 129658-28-2
Molecular Formula: C₂₁H₃₃NO₆S
Molecular Weight: 427.55500
Create Date: 2016-03-27 00:32:48
Modify Date: 2024-01-15 11:26:40

Name	but-2-enedioic acid,2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)ethanamine

Boiling Point	430.6ºC at 760 mmHg
Molecular Formula	C₂₁H₃₃NO₆S
Molecular Weight	427.55500
Flash Point	214.2ºC
Exact Mass	427.20300
PSA	144.38000
LogP	4.67960
Vapour Pressure	1.28E-07mmHg at 25°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DA0184550

CAS REGISTRY NUMBER :: 129658-28-2

LAST UPDATED :: 199303

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C17-H29-N-O2-S.C4-H4-O4

MOLECULAR WEIGHT :: 427.61

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2746 mg/kg

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

REFERENCE :: CCCCAK Collection of Czechoslovak Chemical Communications. (Academic Press Inc. Ltd., 24-28 Oval Rd., London NW1 7DX, UK) V.1- 1929- Volume(issue)/page/year: 55,782,1990

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