53608-90-5
3-HEPTYL-4-IMINO-2-OXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBONITRILE
Name
3-HEPTYL-4-IMINO-2-OXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBONITRILE
Formula
C12 H18 N4 O
MolWeight
234.301
1Identification
【Name】
3-HEPTYL-4-IMINO-2-OXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBONITRILE
【CAS】
【MDL】
MFCD13180486
【English Synonyms】
【Formula】
C12 H18 N4 O
【MolWeight】
234.301
【Inchi】
InChI=1S/C12H18N4O/c1-2-3-4-5-6-7-16-11(14)10(8-13)9-15-12(16)17/h9,14H,2-7H2,1H3,(H,15,17)
【InChIKey】
InChIKey=MOUXIENEBJBTKK-UHFFFAOYSA-N
【SMILES】
CCCCCCCn1c(=N)c(c[nH]c1=O)C#N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3-HEPTYL-4-IMINO-2-OXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBONITRILE.cml
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