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3648-36-0 | Astrazon Pink FG
CAS No: 3648-36-0 Catalog No: AG003NXN MDL No:MFCD00031747
Product Description
Catalog Number:
AG003NXN
Chemical Name:
Astrazon Pink FG
CAS Number:
3648-36-0
Molecular Formula:
C22H26Cl2N2
Molecular Weight:
389.3612
MDL Number:
MFCD00031747
IUPAC Name:
N-(2-chloroethyl)-N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;chloride
InChI:
InChI=1S/C22H26ClN2.ClH/c1-22(2)19-7-5-6-8-20(19)25(4)21(22)14-11-17-9-12-18(13-10-17)24(3)16-15-23;/h5-14H,15-16H2,1-4H3;1H/q+1;/p-1
InChI Key:
ZTBANYZVKCGOKD-UHFFFAOYSA-M
SMILES:
ClCCN(c1ccc(cc1)C=CC1=[N+](C)c2c(C1(C)C)cccc2)C.[Cl-]
EC Number:
222-887-5
NSC Number:
4432
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
388.147g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.364g/mol
Monoisotopic Mass:
388.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
6.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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