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

Catalog Number

ACM53608905

Product Name

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

Structure

CAS

53608-90-5

Category

Heterocyclic Organic Compound

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

Molecular Weight

234.30

Molecular Formula

C₁₂H₁₈N₄O

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

Exact Mass

234.14800

H-Bond Acceptor

3

H-Bond Donor

1

MSDS

COA

Spec Sheet