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Home> Encyclopedia > Hot Product Listed 2   > 2-Propanamine,1,1,1-trifluoro-2-methyl-
726165-19-1 structure

2-Propanamine,1,1,1-trifluoro-2-methyl-

Iupac Name:2-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CAS No.:726165-19-1
Molecular Weight:248.3
Molecular Formula:C10H16O4 (isomer)
Names and Identifiers
Synonyms

1,1,1-Trifluoro-2-methylpropan-2-amine 2,2,2-TRIFLUORO-1,1-DIMETHYL-ETHYLAMINE 2,2,2-Trifluoromethyl-1,1-dimethyl-ethylamine Ethylamine 2,2,2-trifluoro-1,1-dimethyl-,2,2,2-trifluoro-1,1-dimethyl- (8CI) Ethylamine2,2,2-trifluoro-1,1-dimethyl- (7CI)

Inchi
InChI=1S/C12H12N2O2S/c1-7-2-4-8(5-3-7)11-9(6-10(15)16)17-12(13)14-11/h2-5H,6H2,1H3,(H2,13,14)(H,15,16)
InChkey
JLJKSGJPQNPRKV-UHFFFAOYSA-N
Canonical Smiles
CC1=CC=C(C=C1)C2=C(SC(=N2)N)CC(=O)O
Properties
Density
1.169
Boiling Point
320.5°C at 760 mmHg
Flash Point
134.5°C
Safety and Handling
HazardClass
IRRITANT
Computational chemical data
  • Molecular Weight:248.3g/mol
  • Molecular Formula:C10H16O4
  • Compound Is Canonicalized:True
  • Exact Mass:248.062
  • Monoisotopic Mass:248.062
  • Complexity:280
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:104A^2
  • Heavy Atom Count:17
  • 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: AAADccBzMABAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHgQQCAAADAiB3gAzmZJIEgis AyTybACC8KlhCDkImDUgRJiIILLglRGEYAhkwANIyCe8yPCOQAAAAAAAAACAAAAAAAAAAAAAAAAA AA==
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