876518-44-4
TERT-BUTYL 1,2,4,5-TETRAHYDRO-7-(HYDROXYMETHYL)BENZO[D]AZEPINE-3-CARBOXYLATE
NameTERT-BUTYL 1,2,4,5-TETRAHYDRO-7-(HYDROXYMETHYL)BENZO[D]AZEPINE-3-CARBOXYLATE
1Identification
【Name】
TERT-BUTYL 1,2,4,5-TETRAHYDRO-7-(HYDROXYMETHYL)BENZO[D]AZEPINE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD12408179
【English Synonyms】
【Formula】
C16 H23 N O3
【MolWeight】
277.362
【Inchi】
InChI=1S/C16H23NO3/c1-16(2,3)20-15(19)17-8-6-13-5-4-12(11-18)10-14(13)7-9-17/h4-5,10,18H,6-9,11H2,1-3H3
【InChIKey】
InChIKey=BZMPZBLLRXCSRN-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCc2ccc(cc2CC1)CO
【MOL File】
TERT-BUTYL 1,2,4,5-T….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
TERT-BUTYL 1,2,4,5-TETRAHYDRO-7-(HYDROXYMETHYL)BENZO[D]AZEPINE-3-CARBOXYLATE.cml