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(1R,9aR)-1-(1H-indol-3-ylmethylsulfanylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

(1R,9aR)-1-(1H-indol-3-ylmethylsulfanylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine structure

CAS No:
156171-04-9
Formula:
C19H26N2S
Chemical Name:
(1R,9aR)-1-(1H-indol-3-ylmethylsulfanylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
Synonyms:
(1R-trans)-Octahydro-1-(((1H-indol-3-ylmethyl)thio)methyl)-2H-quinolizine; 2H-Quinolizine,octahydro-1-(((1H-indol-3-ylmethyl)thio)methyl)-,(1R-trans);

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(1R,9aR)-1-(1H-indol-3-ylmethylsulfanylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine Basic Attributes

Molecular Weight：

314.48800

Exact Mass：

314.18167001

Characteristics

PSA：

44.33000

XLogP3：

4.60350

Density：

1.17g/cm3

Boiling Point：

493ºC

Flash Point：

250.3ºC

Refractive Index：

1.644

Vapor Pressure：

9.24E-10mmHg at 25°C

Computed Properties

Molecular Weight:314.5
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:314.18167001
Monoisotopic Mass:314.18167001
Topological Polar Surface Area:44.3
Heavy Atom Count:22
Complexity:361
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (1R,9aR)-1-(1H-indol-3-ylmethylsulfanylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

Basic Attributes
Characteristics
Computed Properties

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