953792-68-2
3-{[2-(4-isothiocyanato-phenyl)-ethyl]-methyl-amino}-propan-1-ol
Name3-{[2-(4-isothiocyanato-phenyl)-ethyl]-methyl-amino}-propan-1-ol
1Identification
【Name】
3-{[2-(4-isothiocyanato-phenyl)-ethyl]-methyl-amino}-propan-1-ol
【CAS】
【MDL】
【English Synonyms】
【Formula】
C13H18N2OS
【MolWeight】
250.36
【Inchi】
InChI=1S/C13H18N2OS/c1-15(8-2-10-16)9-7-12-3-5-13(6-4-12)14-11-17/h3-6,16H,2,7-10H2,1H3
【InChIKey】
InChIKey=OMRNGASMSPHUKJ-UHFFFAOYSA-N
【SMILES】
N(=C=S)C1=CC=C(C=C1)CCN(CCCO)C
【MOL File】
3-{[2-(4-isothiocyan….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
3-{[2-(4-isothiocyanato-phenyl)-ethyl]-methyl-amino}-propan-1-ol.cml