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Home> Hot Product Listed G   > Guanidine,N-[4-(2-methyl-1H-imidazol-5-yl)-2-thiazolyl]-N'-pentyl-
1161787-83-2 structure

Guanidine,N-[4-(2-methyl-1H-imidazol-5-yl)-2-thiazolyl]-N'-pentyl-

Iupac Name:(3R,4S)-4-(3-bromophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CAS No.:1161787-83-2
EINECS(EC#): 306-016-7
Molecular Weight:370.2383
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

2-(n-pentyl-n''-guanidino)-4-(2-methylimidazol-4-yl)thiazole 2-(N-Pentyl-N'-guanidino)-4-(2-methylimidazol-4-yl)thiazole 4-(2-methylimidazol-4-yl)-2-(n-pentyldiaminomethyleneamino)thiazole CP 66948 cp-66,948 cp-66948 CS-6771 D0L9PY Guanidine,N-[4-(2-methyl-1H-imidazol-4-yl)-2-thiazolyl]-N'-pentyl- (9CI) L005850 n1-[4-(2-methyl-1h-imidazol-4-yl)-2-thiazolyl]-n3-pentylguanidine ZINC31415524

Inchi
InChI=1S/C16H20BrNO4/c1-16(2,3)22-15(21)18-8-12(13(9-18)14(19)20)10-5-4-6-11(17)7-10/h4-7,12-13H,8-9H2,1-3H3,(H,19,20)/t12-,13+/m1/s1
InChkey
WLZJBSBJNUMFEY-OLZOCXBDSA-N
Canonical Smiles
CC(C)(C)OC(=O)N1CC(C(C1)C(=O)O)C2=CC(=CC=C2)Br
Properties
Density
1.477
Boiling Point
751.2°C at 760 mmHg
Flash Point
°C
Computational chemical data
  • Molecular Weight:370.2383g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • Exact Mass:369.058
  • Monoisotopic Mass:369.058
  • Complexity:434
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:66.8A^2
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:2
  • 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: AAADceB6OAAAEAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgBACAABrUTBmAQyCIMABgCI AiDSGAACAAAgAAQIiAEIAKgIIDqAkRGMYAAmhgCIihe8yOCOgAAAEAAAAAAAAAAgAAAAAAAAAAAA AA==
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