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Home> Hot Product Listed 3   > 3-(1H-IMIDAZOL-2-YL)-PHENYLAMINE
1214265-57-2 structure

3-(1H-IMIDAZOL-2-YL)-PHENYLAMINE

Iupac Name:N-[3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]sulfanylphenyl]prop-2-enamide
CAS No.:1214265-57-2
Molecular Weight:481.015
Molecular Formula:C13H13NS (isomer)
Names and Identifiers
Synonyms

3-(1h-imidazol-2-yl)aniline 3-(1h-imidazol-2-yl)phenylamine 3-(2-imidazolyl)aniline AC1Q51FI AJ-76348 AK-63820 AKOS BB-8922 AKOS004117817 DB-064422 DTXSID80629753 EN300-58718 HE025459 ICYYPKINHSREND-UHFFFAOYSA-N KB-334132 OPREA1_056456 SCHEMBL4707392 ZINC20217447

Inchi
InChI=1S/C24H25ClN6OS/c1-3-22(32)27-18-5-4-6-20(15-18)33-23-21(25)16-26-24(29-23)28-17-7-9-19(10-8-17)31-13-11-30(2)12-14-31/h3-10,15-16H,1,11-14H2,2H3,(H,27,32)(H,26,28,29)
InChkey
KIISCIGBPUVZBF-UHFFFAOYSA-N
Canonical Smiles
CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)SC4=CC=CC(=C4)NC(=O)C=C)Cl
Properties
Density
1.308
Boiling Point
552.7°C at 760 mmHg
Flash Point
135.2°C
Computational chemical data
  • Molecular Weight:481.015g/mol
  • Molecular Formula:C13H13NS
  • Compound Is Canonicalized:True
  • Exact Mass:480.15
  • Monoisotopic Mass:480.15
  • Complexity:640
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:98.7A^2
  • Heavy Atom Count:33
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7oABEAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAAAB0AAAHgYQAAAACArB0iQ/0ZfIEAio ADV3dACC0ClxC7AJ2DgoZNiIaKLg2dHUJAxolALoyKcQAAAAAACAACAAAAAAAQAAQAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-21-33758180
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  • Tel:86-571-87396430
  • Fax:86-571-87396431
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  • Tel:86-311-66600578
  • Fax:86-311-66600576
  • Tel:86-571-85586718
  • Fax:86-571-85864795
 
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