26050-23-7
3-(4-(BIS(2-CHLOROETHYL)AMINO)BENZYLIDENEHYDRAZINO)-4-AMINO-1,2,4-TRIAZOLE HYDROCHLORIDE
Name3-(4-(BIS(2-CHLOROETHYL)AMINO)BENZYLIDENEHYDRAZINO)-4-AMINO-1,2,4-TRIAZOLE HYDROCHLORIDE
FormulaC13 H17 Cl2 N7 . Cl H
1Identification
【Name】
3-(4-(BIS(2-CHLOROETHYL)AMINO)BENZYLIDENEHYDRAZINO)-4-AMINO-1,2,4-TRIAZOLE HYDROCHLORIDE
【CAS】
【MDL】
MFCD01666419
【English Synonyms】
【Formula】
C13 H17 Cl2 N7 . Cl H
【MolWeight】
378.693
【Inchi】
InChI=1S/C13H17Cl2N7.ClH/c14-5-7-21(8-6-15)12-3-1-11(2-4-12)9-17-19-13-20-18-10-22(13)16;/h1-4,9-10H,5-8,16H2,(H,19,20);1H/b17-9+;
【InChIKey】
InChIKey=AFRFJJXOHDRSTB-WWIHJBQESA-N
【SMILES】
c1cc(ccc1/C=N/Nc2nncn2N)N(CCCl)CCCl.Cl
【MOL File】
3-(4-(BIS(2-CHLOROET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(4-(BIS(2-CHLOROETHYL)AMINO)BENZYLIDENEHYDRAZINO)-4-AMINO-1,2,4-TRIAZOLE HYDROCHLORIDE.cml