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Home> Encyclopedia > Hot Product Listed 2   > 2-Propan-1,1,1,2,3,3,3-d7-ol(9CI)
1185299-40-4 structure

2-Propan-1,1,1,2,3,3,3-d7-ol(9CI)

Iupac Name:[3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone
CAS No.:1185299-40-4
Molecular Weight:288.307
Molecular Formula:C313CH415N2O2 (isomer)
Names and Identifiers
Synonyms

Isopropanol-d7 Isopropyl-d7alcohol (7CI,8CI)

Inchi
InChI=1S/C14H16N4O3/c15-9-12-16-13(17-21-12)10-2-1-3-11(8-10)14(19)18-4-6-20-7-5-18/h1-3,8H,4-7,9,15H2
InChkey
ZTHVZEGOIAGUNX-UHFFFAOYSA-N
Canonical Smiles
C1COCCN1C(=O)C2=CC=CC(=C2)C3=NOC(=N3)CN
Properties
Density
1.218
Boiling Point
332.4°C at 760 mmHg
Flash Point
367.7 °C at 760 mmHg
Computational chemical data
  • Molecular Weight:288.307g/mol
  • Molecular Formula:C313CH415N2O2
  • Compound Is Canonicalized:True
  • Exact Mass:288.122
  • Monoisotopic Mass:288.122
  • Complexity:362
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:94.5A^2
  • Heavy Atom Count:21
  • 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: AAADceBzsAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAAABwAAAHgAUAAAADADhmwYxEIdYFACp AiNyNgCCgAkkAKApiKG4BNiKaLKAnRGXIQhghwKYiYcYiUCOAAACAAAAAAAAAAQAAAAAAAAAAAAA AA==
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