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Home> Hot Product Listed 5   > 5-Pyrimidinecarbonitrile, 4-amino-6-ethyl- (9CI)
959687-54-8 structure

5-Pyrimidinecarbonitrile, 4-amino-6-ethyl- (9CI)

Iupac Name:7-methoxy-4-nitro-1-propan-2-ylindole
CAS No.:959687-54-8
Molecular Weight:234.255
Molecular Formula:C6H10O2 (isomer)
Names and Identifiers
Synonyms

4-amino-6-ethyl-5-pyrimidinecarbonitrile 4-amino-6-ethylpyrimidine-5-carbonitrile 5-pyrimidinecarbonitrile, 4-amino-6-ethyl- 5-pyrimidinecarbonitrile,4-amino-6-ethyl- AB54940 AK452877 AKOS006310556 HE155528 KB-198341 SCHEMBL231870 ZINC39053123

Inchi
InChI=1S/C12H14N2O3/c1-8(2)13-7-6-9-10(14(15)16)4-5-11(17-3)12(9)13/h4-8H,1-3H3
InChkey
AMUOZMGQRZSDPM-UHFFFAOYSA-N
Canonical Smiles
CC(C)N1C=CC2=C(C=CC(=C21)OC)[N+](=O)[O-]
Properties
Flash Point
212.4°C
Computational chemical data
  • Molecular Weight:234.255g/mol
  • Molecular Formula:C6H10O2
  • Compound Is Canonicalized:True
  • Exact Mass:234.1
  • Monoisotopic Mass:234.1
  • Complexity:290
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • 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
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