73940-96-2
1,3,5-TRIAZASPIRO(5.5)UNDECA-2,4-DIENE, 1-(2-BROMOPHENYL)-2,4-DIAMINO-9-METHYL-, HYDROCHLORIDE
Name1,3,5-TRIAZASPIRO(5.5)UNDECA-2,4-DIENE, 1-(2-BROMOPHENYL)-2,4-DIAMINO-9-METHYL-, HYDROCHLORIDE
FormulaC15 H20 Br N5 . Cl H
1Identification
【Name】
1,3,5-TRIAZASPIRO(5.5)UNDECA-2,4-DIENE, 1-(2-BROMOPHENYL)-2,4-DIAMINO-9-METHYL-, HYDROCHLORIDE
【CAS】
【MDL】
MFCD01679376
【English Synonyms】
【Formula】
C15 H20 Br N5 . Cl H
【MolWeight】
386.723
【Inchi】
InChI=1S/C15H20BrN5.ClH/c1-10-6-8-15(9-7-10)20-13(17)19-14(18)21(15)12-5-3-2-4-11(12)16;/h2-5,10H,6-9H2,1H3,(H4,17,18,19,20);1H
【InChIKey】
InChIKey=HVZQNWQZEMNYJV-UHFFFAOYSA-N
【SMILES】
CC1CCC2(CC1)N=C(N=C(N2c3ccccc3Br)N)N.Cl
【MOL File】
1,3,5-TRIAZASPIRO(5.….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,3,5-TRIAZASPIRO(5.5)UNDECA-2,4-DIENE, 1-(2-BROMOPHENYL)-2,4-DIAMINO-9-METHYL-, HYDROCHLORIDE.cml