Solvent Red 149

CAT: 0926-FS167631-01Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-FS167631-01Size:10 g

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

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CAS Number

21295-57-8

MDL Number

MFCD01844624

Smiles

CN1C2=C3C (=CC1=O) C4=CC=CC=C4C (=O) C3=C (C=C2) NC5CCCCC5

Molecular Formula

C23H22N2O2

Molecular Weight

358.43 g/mol

Controlled

Chemical Information

6-(cyclohexylamino)-3-methyl-3H-dibenz[f,ij]isoquinoline-2,7-dione

CAS Number	21295-57-8
PubChem CID	88858
IUPAC Name	10-(cyclohexylamino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione
Molecular Formula	C23H22N2O2
Molecular Weight	358.4
XLogP	4
Topological Polar Surface Area	49.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	27
Formal Charge	0
Complexity	651

SMILES

CN1C2=C3C(=CC1=O)C4=CC=CC=C4C(=O)C3=C(C=C2)NC5CCCCC5

InChI

InChI=1S/C23H22N2O2/c1-25-19-12-11-18(24-14-7-3-2-4-8-14)22-21(19)17(13-20(25)26)15-9-5-6-10-16(15)23(22)27/h5-6,9-14,24H,2-4,7-8H2,1H3

InChIKey

JZGUXCXDBKBCDN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21295-57-8

CID: 88858

Formula: C23H22N2O2

MW: 358.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	358.4
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	358.168127949
Monoisotopic Mass	358.168127949
Topological Polar Surface Area	49.4 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	651
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