923232-49-9
1-(6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-3-YL)ETHANAMINE
Name1-(6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-3-YL)ETHANAMINE
1Identification
【Name】
1-(6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-3-YL)ETHANAMINE
【CAS】
【MDL】
MFCD08691257
【English Synonyms】
【Formula】
C9 H16 N4
【MolWeight】
180.253
【Inchi】
InChI=1S/C9H16N4/c1-7(10)9-12-11-8-5-3-2-4-6-13(8)9/h7H,2-6,10H2,1H3
【InChIKey】
InChIKey=WQCTXDFTGIHMRX-UHFFFAOYSA-N
【SMILES】
CC(c1nnc2n1CCCCC2)N
【MOL File】
1-(6,7,8,9-TETRAHYDR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-3-YL)ETHANAMINE.cml