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Home> Hot Product Listed T   > T6896156
1000981-74-7 structure

T6896156

Iupac Name:1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one
CAS No.:1000981-74-7
Molecular Weight:150.181
Molecular Formula:C19H17CLN4O3 (isomer)
Names and Identifiers
Synonyms

MCULE-7067655844 MOLPORT-009-318-037 n-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide Z422999830

Inchi
InChI=1S/C8H10N2O/c11-8-4-1-3-7-9-5-2-6-10(7)8/h1,3-4,9H,2,5-6H2
InChkey
CYRXXOKSUGGUPM-UHFFFAOYSA-N
Canonical Smiles
C1CNC2=CC=CC(=O)N2C1
Properties
Melting Point
167 ?C
HS Code
2933990090
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:150.181g/mol
  • Molecular Formula:C19H17CLN4O3
  • Compound Is Canonicalized:True
  • Exact Mass:150.079
  • Monoisotopic Mass:150.079
  • Complexity:243
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:32.3A^2
  • Heavy Atom Count:11
  • 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: AAADccBzIAAAAAAAAAAAAAAAAAAAAAAAAAAsQAAAAAAAAACAAAAAHgAQAAAACADBgAQBAAPAAACI ACFSUACAAAAAAgAICIAIAECIAAAAQQAEAAAIFwKAgYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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