B220

CAT: 0127-BUP12012-05Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP12012-05Size:100 mg

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

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CAS Number

112228-65-6

Purity

=95%

Smiles

CN(C)CCn1c2ccccc2c2nc3cc(C)c(C)cc3nc12

Chemical Information

B 220

structure given in first source

CAS Number	112228-65-6
PubChem CID	130705
IUPAC Name	2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)-N,N-dimethylethanamine
Molecular Formula	C20H22N4
Molecular Weight	318.4
XLogP	3.7
Topological Polar Surface Area	34
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	439

SMILES

CC1=CC2=C(C=C1C)N=C3C(=N2)C4=CC=CC=C4N3CCN(C)C

InChI

InChI=1S/C20H22N4/c1-13-11-16-17(12-14(13)2)22-20-19(21-16)15-7-5-6-8-18(15)24(20)10-9-23(3)4/h5-8,11-12H,9-10H2,1-4H3

InChIKey

FPLSGFJELWCFTH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 112228-65-6

CID: 130705

Formula: C20H22N4

MW: 318.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	318.4
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	318.18444672
Monoisotopic Mass	318.18444672
Topological Polar Surface Area	34 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	439
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