Decahydroquinoline

CAT: 0127-OR911710-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR911710-01Size:250 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2051-28-7

MDL Number

MFCD00006695

Purity

96%

Smiles

C1CCC2NCCCC2C1

Chemical Information

Decahydroquinoline

CAS Number	2051-28-7
PubChem CID	92911
IUPAC Name	1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
Molecular Formula	C9H17N
Molecular Weight	139.24
XLogP	2
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	111

SMILES

C1CCC2C(C1)CCCN2

InChI

InChI=1S/C9H17N/c1-2-6-9-8(4-1)5-3-7-10-9/h8-10H,1-7H2

InChIKey

POTIYWUALSJREP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2051-28-7

CID: 92911

Formula: C9H17N

MW: 139.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	139.24
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	139.136099547
Monoisotopic Mass	139.136099547
Topological Polar Surface Area	12 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	111
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
OR470600	Decahydroquinoxaline
OR480293	2- (4-Methoxyphenyl) -decahydroquinoxaline, mixture cis/trans isomers

Catalog	Name
445884-01	Decahydroquinoline
FD76040	Trans-Decahydroquinoline
sc-333128	1- (chloroacetyl) decahydroquinoline
CCA60169-01	8-Methyl-decahydroquinoline
MBA44222-01	4a-Methyl-decahydroquinoline
CCA60168-01	6-Methyl-decahydroquinoline
WSB70480-01	2-Methyl-decahydroquinoline hydrochlorides
BCA55271-01	Methyl decahydroquinoline-6-carboxylate
DQD63238-01	7-Methyl-decahydroquinoline hydrochloride
SDA24469-01	Methyl decahydroquinoline-3-carboxylates