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Home> Hot Product Listed H   > HLDDVLDWCSUVCV-UHFFFAOYSA-N
160952-27-2 structure

HLDDVLDWCSUVCV-UHFFFAOYSA-N

Iupac Name:6-methyl-N-propyl-1H-benzimidazol-2-amine
CAS No.:160952-27-2
Molecular Weight:189.262
Molecular Formula:C20H25N3O5 (isomer)
Names and Identifiers
Synonyms

2-phenyl-2-(thiomorpholin-4-yl)acetic acid hydrochloride 2-phenyl-2-thiomorpholinoacetic acid hydrochloride AC1Q3EX7 AKOS008115985 CTK7I4220 EN300-54348 MOLPORT-009-183-944 NE26741 SCHEMBL15063228 T6564036 Z818727058

Inchi
InChI=1S/C11H15N3/c1-3-6-12-11-13-9-5-4-8(2)7-10(9)14-11/h4-5,7H,3,6H2,1-2H3,(H2,12,13,14)
InChkey
SQFRKPTXUFZBNB-UHFFFAOYSA-N
Canonical Smiles
CCCNC1=NC2=C(N1)C=C(C=C2)C
Computational chemical data
  • Molecular Weight:189.262g/mol
  • Molecular Formula:C20H25N3O5
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.7
  • Exact Mass:189.127
  • Monoisotopic Mass:189.127
  • Complexity:183
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.7A^2
  • Heavy Atom Count:14
  • 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: AAADccBzAAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHAAQAAAADAjBHgQz0LbJkACg AyRiZACCgC2hEqAJmaA4dJiIaKLAmZGUIAhokAJIyCcQgAAOCAAAQAAAACAQAACAAAAAQAAAAAAA AA==
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