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1446-61-3

1446-61-3 structural image
Product Name: DEHYDROABIETYLAMINE
Formula: C20H31N
Synonyms: 1,4a-Dimethyl-7-isopropyl-1,2,3,4,4a,9,10,10a-octahydro-1-phenanthrenemethylamine
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Other Solid
Color/Form PALE YELLOW VISCOUS LIQUID /TECHNICAL GRADE/
Melting Point 317.65 deg K
Density 1.5460 at 20 °C /technical grade/
Vapor Pressure 0.0000042 [mmHg]
Optical Rotation Specific optical rotation is +56.1 deg (c=2.4, pyridine) /technical grade/
Viscosity 1.36X10-2 Pa.s @ 317.65 deg K
Heat of Vaporization 9.406X10+7 J/kmol @ 317.65 deg K
Surface Tension 3.38X10-2 N/m @ 317.65 deg K
Other Experimental Properties Liquid molar volume is 0.29 cu m/kmol.
Chemical Classes Biological Agents -> Rosin and Derivatives

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 285.5 g/mol
XLogP3 5.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 285.245649993 g/mol
Monoisotopic Mass 285.245649993 g/mol
Topological Polar Surface Area 26 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 376
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine is a diterpenoid.

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