Decahydroquinoxaline

CAT: 0127-OR470600Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR470600Size:1 Each

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CAS Number

90410-24-5

MDL Number

MFCD00092162

Purity

=95%

Smiles

C1CCC2NCCNC2C1

Chemical Information

Decahydroquinoxaline

CAS Number	90410-24-5
PubChem CID	17906435
IUPAC Name	1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
Molecular Formula	C8H16N2
Molecular Weight	140.23
XLogP	0.5
Topological Polar Surface Area	24.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	99

SMILES

C1CCC2C(C1)NCCN2

InChI

InChI=1S/C8H16N2/c1-2-4-8-7(3-1)9-5-6-10-8/h7-10H,1-6H2

InChIKey

MDEXMBGPIZUUBI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 90410-24-5

CID: 17906435

Formula: C8H16N2

MW: 140.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	140.23
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	140.131348519
Monoisotopic Mass	140.131348519
Topological Polar Surface Area	24.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	99.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR911710-01	Decahydroquinoline
OR917395-01	Trans-decahydroquinoline

Catalog	Name
QDA41024-01	Decahydroquinoxaline
BEC38356-01	1-Benzyl-decahydroquinoxaline
CWB11278-01	Rac- (4aR,8aS) -Decahydroquinoxaline-2,3-dione
sc-298111	2- (4-Methoxyphenyl) decahydroquinoxaline monohydrate, cis + trans
VXC61953-01	1-[ (tert-Butoxy) carbonyl]-3-oxo-decahydroquinoxaline-6-carboxylic acid