847818-60-4
(1-(3-(DIMETHYLAMINO)PROPYL)-1H-PYRAZOL-4-YL)BORONIC ACID
Name(1-(3-(DIMETHYLAMINO)PROPYL)-1H-PYRAZOL-4-YL)BORONIC ACID
1Identification
【Name】
(1-(3-(DIMETHYLAMINO)PROPYL)-1H-PYRAZOL-4-YL)BORONIC ACID
【CAS】
【MDL】
MFCD12407375
【English Synonyms】
【Formula】
C8 H16 B N3 O2
【MolWeight】
197.044
【Inchi】
InChI=1S/C8H16BN3O2/c1-11(2)4-3-5-12-7-8(6-10-12)9(13)14/h6-7,13-14H,3-5H2,1-2H3
【InChIKey】
InChIKey=CDKKTXCWESMYDO-UHFFFAOYSA-N
【SMILES】
B(c1cnn(c1)CCCN(C)C)(O)O
【MOL File】
(1-(3-(DIMETHYLAMINO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(1-(3-(DIMETHYLAMINO)PROPYL)-1H-PYRAZOL-4-YL)BORONIC ACID.cml