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METHYL VIOLET

CAS No.:
603-47-4
Catalog Number:
AG00E9MD
Molecular Formula:
C24H28ClN3
Molecular Weight:
393.9522
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Product Description
Catalog Number:
AG00E9MD
Chemical Name:
METHYL VIOLET
CAS Number:
603-47-4
Molecular Formula:
C24H28ClN3
Molecular Weight:
393.9522
MDL Number:
MFCD00012568
IUPAC Name:
4-[[4-(dimethylamino)phenyl]-(4-methyliminocyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethylaniline;hydrochloride
InChI:
InChI=1S/C24H27N3.ClH/c1-25-21-12-6-18(7-13-21)24(19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4)5;/h6-17H,1-5H3;1H
InChI Key:
JFTBTTPUYRGXDG-UHFFFAOYSA-N
SMILES:
C/N=C/1\C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1.Cl
EC Number:
210-042-3
UNII:
V3Z44MJ9SB
NSC Number:
47731
Properties
Complexity:
560  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.197g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
393.959g/mol
Monoisotopic Mass:
393.197g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
18.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties