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739-71-9

739-71-9 structural image
Product Name: TRIMIPRAMINE
Formula: C20H26N2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 45 °C
Solubility Slightly soluble
LogP 4.2
Dissociation Constants 9.24
Collision Cross Section 171.2 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]
Kovats Retention Index 2215 2203 2204 2215 2225 2249 2228 2200 2201 2208.9 2216.8 2216.8 2200 2203 2224 2201 2232.1 2215 2215 2234.7

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H225:Flammable liquids
H370:Specific target organ toxicity, single exposure
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P311:Call a POISON CENTER or doctor/physician.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 294.4 g/mol
XLogP3 5.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 294.209598838 g/mol
Monoisotopic Mass 294.209598838 g/mol
Topological Polar Surface Area 6.5 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 317
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Trimipramine is a dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)-2-methylpropyl group at the nitrogen atom. It is used as an antidepressant. It has a role as an antidepressant, an environmental contaminant and a xenobiotic. It is a dibenzoazepine and a tertiary amino compound. It is functionally related to an imipramine.