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Solvent Blue 4

CAT: 1596-AR-D07958-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D07958-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6786-83-0
Molecular Formula
C33H33N3O
Molecular Weight
487.65
API Name
Dyes

Chemical Information

1-Naphthalenemethanol, alpha,alpha-bis(4-(dimethylamino)phenyl)-4-(phenylamino)-
CAS Number6786-83-0
PubChem CID81245
IUPAC Name(4-anilinonaphthalen-1-yl)-bis[4-(dimethylamino)phenyl]methanol
Molecular FormulaC33H33N3O
Molecular Weight487.6
XLogP7.3
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity660
SMILES
CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)(C3=CC=C(C4=CC=CC=C43)NC5=CC=CC=C5)O
InChI
InChI=1S/C33H33N3O/c1-35(2)27-18-14-24(15-19-27)33(37,25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26/h5-23,34,37H,1-4H3
InChIKey
WNDULEJVCPEASN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Naphthalenemethanol, alpha,alpha-bis(4-(dimethylamino)phenyl)-4-(phenylamino)-
CAS: 6786-83-0
CID: 81245
Formula: C33H33N3O
MW: 487.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight487.6
XLogP37.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass487.262362685
Monoisotopic Mass487.262362685
Topological Polar Surface Area38.7 Ų
Heavy Atom Count37
Formal Charge0
Complexity660
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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