886851-68-9
TERT-BUTYL 4-(3-HYDROXYPHENYL)PERHYDRO-1,4-DIAZEPINE-1-CARBOXYLATE
NameTERT-BUTYL 4-(3-HYDROXYPHENYL)PERHYDRO-1,4-DIAZEPINE-1-CARBOXYLATE
1Identification
【Name】
TERT-BUTYL 4-(3-HYDROXYPHENYL)PERHYDRO-1,4-DIAZEPINE-1-CARBOXYLATE
【CAS】
【MDL】
MFCD08690329
【English Synonyms】
【Formula】
C16 H24 N2 O3
【MolWeight】
292.377
【Inchi】
InChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)18-9-5-8-17(10-11-18)13-6-4-7-14(19)12-13/h4,6-7,12,19H,5,8-11H2,1-3H3
【InChIKey】
InChIKey=QDERCJJDCUXJSL-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCCN(CC1)c2cccc(c2)O
【MOL File】
TERT-BUTYL 4-(3-HYDR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
TERT-BUTYL 4-(3-HYDROXYPHENYL)PERHYDRO-1,4-DIAZEPINE-1-CARBOXYLATE.cml