Solvent violet 9

CAT: 0127-OR1033822-03Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1033822-03Size:1 g

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CAS Number

467-63-0

Purity

98%

Smiles

OC(C1=CC=C(N(C)C)C=C1)(C2=CC=C(N(C)C)C=C2)C3=CC=C(N(C)C)C=C3

Chemical Information

C.I. 42555:1

Methylrosaniline is a benzenoid aromatic compound.

CAS Number	467-63-0
PubChem CID	68050
IUPAC Name	tris[4-(dimethylamino)phenyl]methanol
Molecular Formula	C25H31N3O
Molecular Weight	389.5
XLogP	4.6
Topological Polar Surface Area	30
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	29
Formal Charge	0
Complexity	413

SMILES

CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)(C3=CC=C(C=C3)N(C)C)O

InChI

InChI=1S/C25H31N3O/c1-26(2)22-13-7-19(8-14-22)25(29,20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18,29H,1-6H3

InChIKey

QFVDKARCPMTZCS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 467-63-0

CID: 68050

Formula: C25H31N3O

MW: 389.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	389.5
XLogP3	4.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	389.246712621
Monoisotopic Mass	389.246712621
Topological Polar Surface Area	30 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	413
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

Catalog	Name
HY-D1179	Solvent violet 38
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289429-01	Solvent Violet 36, Technical
TRC-S676763-10G	Solvent Violet 9 (Technical Grade)
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289430-01	Solvent Violet 9, Technical discontinued. See 236978
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