DC661

CAT: 0607-BA2791-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA2791-25Size:25 mg

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

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CAS Number

1872387-43-3

Form

A solid

Molecular Formula

C31H39Cl2N5

Molecular Weight

552.58

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

N1-(7-chloroquinolin-4-yl)-N6-(6-((7-chloroquinolin-4-yl)amino)hexyl)-N6-methylhexane-1,6-diamine

CAS Number	1872387-43-3
PubChem CID	130467298
IUPAC Name	N-(7-chloroquinolin-4-yl)-N'-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-N'-methylhexane-1,6-diamine
Molecular Formula	C31H39Cl2N5
Molecular Weight	552.6
XLogP	8.3
Topological Polar Surface Area	53.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	16
Heavy Atom Count	38
Formal Charge	0
Complexity	587

SMILES

CN(CCCCCCNC1=C2C=CC(=CC2=NC=C1)Cl)CCCCCCNC3=C4C=CC(=CC4=NC=C3)Cl

InChI

InChI=1S/C31H39Cl2N5/c1-38(20-8-4-2-6-16-34-28-14-18-36-30-22-24(32)10-12-26(28)30)21-9-5-3-7-17-35-29-15-19-37-31-23-25(33)11-13-27(29)31/h10-15,18-19,22-23H,2-9,16-17,20-21H2,1H3,(H,34,36)(H,35,37)

InChIKey

VJKCWFZTSDXOBS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1872387-43-3

CID: 130467298

Formula: C31H39Cl2N5

MW: 552.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	552.6
XLogP3	8.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	16
Exact Mass	551.2582517
Monoisotopic Mass	551.2582517
Topological Polar Surface Area	53.1 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	587
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
T5538-01	DC661
A17236-5	DC661 5mg
A17236-2	DC661 2mg
A17236-50	DC661 50mg
A17236-10	DC661 10mg
A17236-1	DC661 1mg

DC661

Chemical Information

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