14484-50-5
4-(4,6-DIAMINO-2,2-DIMETHYL-2H-[1,3,5]TRIAZIN-1-YL)-BENZOIC ACID
Name4-(4,6-DIAMINO-2,2-DIMETHYL-2H-[1,3,5]TRIAZIN-1-YL)-BENZOIC ACID
1Identification
【Name】
4-(4,6-DIAMINO-2,2-DIMETHYL-2H-[1,3,5]TRIAZIN-1-YL)-BENZOIC ACID
【CAS】
【MDL】
MFCD00722532
【English Synonyms】
【Formula】
C12 H15 N5 O2
【MolWeight】
261.284
【Inchi】
InChI=1S/C12H15N5O2/c1-12(2)16-10(13)15-11(14)17(12)8-5-3-7(4-6-8)9(18)19/h3-6H,1-2H3,(H,18,19)(H4,13,14,15,16)
【InChIKey】
InChIKey=QKMLSYAKMRHXSS-UHFFFAOYSA-N
【SMILES】
CC1(N=C(N=C(N1c2ccc(cc2)C(=O)O)N)N)C
【MOL File】
4-(4,6-DIAMINO-2,2-D….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(4,6-DIAMINO-2,2-DIMETHYL-2H-[1,3,5]TRIAZIN-1-YL)-BENZOIC ACID.cml