3-Heptyl-4-imino-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile

CAS

53608-90-5

Catalog Number

ACM53608905

Category

Other Products

Molecular Weight

234.30

Molecular Formula

C₁₂H₁₈N₄O

MSDS COA Spec Sheet

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Specification

Synonyms

53608-90-5, NSC517625, AC1L6XG5, SBB069539, NSC-517625, FT-0654355, 6-amino-1-heptyl-2-oxo-5-pyrimidinecarbonitrile, 6-amino-1-heptyl-2-oxopyrimidine-5-carbonitrile, A829682, S14-1156, 1-heptyl-6-imino-2-keto-3H-pyrimidine-5-carbonitrile, 6-azanyl-1-heptyl-2-oxidanylidene-pyrimidine-5-carbonitrile, 3-heptyl-4-imino-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile

IUPAC Name

6-amino-1-heptyl-2-oxopyrimidine-5-carbonitrile

Canonical SMILES

CCCCCCCN1C(=C(C=NC1=O)C#N)N

InChI Key

AYYVVJSLDUCYAO-UHFFFAOYSA-N

Boiling Point

383.2ºC at 760 mmHg

Flash Point

185.6ºC

Density

1.15g/cm³