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Chemical Product CAS:13474-78-74-chloro-N'~1~,N'~3~-bis[4-(N'-methylcarbamimidoyl)phenyl]benzene-1,3-dicarboximidamide

CAS:13474-78-7
4-chloro-N'~1~,N'~3~-bis[4-(N'-methylcarbamimidoyl)phenyl]benzene-1,3-dicarboximidamide

  • CAS No:

    13474-78-7
  • Name:

    4-chloro-N'~1~,N'~3~-bis[4-(N'-methylcarbamimidoyl)phenyl]benzene-1,3-dicarboximidamide
  • Molecular Formula:

    C24H25ClN8
  • Molecular Weight:

    460.9619
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4-chloro-N'~1~,N'~3~-bis[4-(N'-methylcarbamim ( CASNO:13474-78-7 )

Identification and Related Records
Name:
4-chloro-N'~1~,N'~3~-bis[4-(N'-methylcarbamimidoyl)phenyl]benzene-1,3-dicarboximidamide
CAS Registry number:
13474-78-7
Iupac name:
4-chloro-1-N',3-N'-bis[4-(N'-methylcarbamimidoyl)phenyl]benzene-1,
3-dicarboximidamide hydrochloride
Synonyms:
NSC70705
NSC-70705
13474-78-7
Molecular Formula:
C24H25ClN8
Molecular Weight:
460.9619
Inchi:
InChI=1/C24H25ClN8/c1-30-21(26)14-3-8-17(9-4-14)32-23(28)16-7-12-20(25)19(13-16)24(29)33-18-10-5-15(6-11-18)22(27)31-2/h3-13H,1-2H3,(H2,26,30)(H2,27,31)(H2,28,32)(H2,29,33)
Canonical SMILES:
CN=C(C1=CC=C(C=C1)N=C(C2=CC(=C(C=C2)Cl)C(=NC3=CC=C(C=C3)C(=NC)N)N)N)N.Cl
Chemical and Physical Properties
Density:
1.33g/cm3
Boiling Point:
720.2°C at 760 mmHg
Vapour:
1.36E-20mmHg at 25°C
Refractive Index:
1.671
Flash Point:
389.4°C
Computed Properties:
Molecular Weight:497.42284 [g/mol]
Molecular Formula:C24H26Cl2N8
H-Bond Donor:5
H-Bond Acceptor:4
Rotatable Bond Count:6
Tautomer Count:49
Exact Mass:496.165748
MonoIsotopic Mass:496.165748
Topological Polar Surface Area:154
Heavy Atom Count:34
Formal Charge:0
Complexity:760
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:2
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