530145-61-0
(R)-3-(((1-HYDROXY-3-PHENYLPROPAN-2-YL)AMINO)METHYL)-4-NITROBENZONITRILE
Name(R)-3-(((1-HYDROXY-3-PHENYLPROPAN-2-YL)AMINO)METHYL)-4-NITROBENZONITRILE
1Identification
【Name】
(R)-3-(((1-HYDROXY-3-PHENYLPROPAN-2-YL)AMINO)METHYL)-4-NITROBENZONITRILE
【CAS】
【MDL】
MFCD21604094
【English Synonyms】
【Formula】
C17 H17 N3 O3
【MolWeight】
311.339
【Inchi】
InChI=1S/C17H17N3O3/c18-10-14-6-7-17(20(22)23)15(8-14)11-19-16(12-21)9-13-4-2-1-3-5-13/h1-8,16,19,21H,9,11-12H2/t16-/m1/s1
【InChIKey】
InChIKey=IAOWEKCITRAWNK-MRXNPFEDSA-N
【SMILES】
c1ccc(cc1)C[C@H](CO)NCc2cc(ccc2[N+](=O)[O-])C#N
【MOL File】
(R)-3-(((1-HYDROXY-3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(R)-3-(((1-HYDROXY-3-PHENYLPROPAN-2-YL)AMINO)METHYL)-4-NITROBENZONITRILE.cml