51301-55-4
FORMIC ACID, COMPOUND WITH 2,3,4,6,7,8,9,10-OCTAHYDROPYRIMIDO[1,2-A]AZEPINE (1:1)
NameFORMIC ACID, COMPOUND WITH 2,3,4,6,7,8,9,10-OCTAHYDROPYRIMIDO[1,2-A]AZEPINE (1:1)
FormulaC9 H16 N2 . C H2 O2
1Identification
【Name】
FORMIC ACID, COMPOUND WITH 2,3,4,6,7,8,9,10-OCTAHYDROPYRIMIDO[1,2-A]AZEPINE (1:1)
【CAS】
【MDL】
MFCD21607532
【English Synonyms】
【Formula】
C9 H16 N2 . C H2 O2
【MolWeight】
198.264
【Inchi】
InChI=1S/C9H16N2.CH2O2/c1-2-5-9-10-6-4-8-11(9)7-3-1;2-1-3/h1-8H2;1H,(H,2,3)
【InChIKey】
InChIKey=FKPRQRCHWPBBBF-UHFFFAOYSA-N
【SMILES】
C1CCC2=NCCCN2CC1.C(=O)O
【MOL File】
FORMIC ACID, COMPOUN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
FORMIC ACID, COMPOUND WITH 2,3,4,6,7,8,9,10-OCTAHYDROPYRIMIDO[1,2-A]AZEPINE (1:1).cml