123743-84-0
4-(METHYLNITROSAMINO)-4-(3-PYRIDYL)BUTYRIC ACID
Name4-(METHYLNITROSAMINO)-4-(3-PYRIDYL)BUTYRIC ACID
1Identification
【Name】
4-(METHYLNITROSAMINO)-4-(3-PYRIDYL)BUTYRIC ACID
【CAS】
【MDL】
MFCD02751898
【English Synonyms】
【Formula】
C10 H13 N3 O3
【MolWeight】
223.231
【Inchi】
InChI=1S/C10H13N3O3/c1-13(12-16)9(4-5-10(14)15)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3,(H,14,15)
【InChIKey】
InChIKey=NZSNJPDBPMIBSP-UHFFFAOYSA-N
【SMILES】
CN(C(CCC(=O)O)c1cccnc1)N=O
【MOL File】
4-(METHYLNITROSAMINO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(METHYLNITROSAMINO)-4-(3-PYRIDYL)BUTYRIC ACID.cml