74581-23-0
(2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPIN-1-YL)-CARBAMIC ACID METHYL ESTER
Name(2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPIN-1-YL)-CARBAMIC ACID METHYL ESTER
1Identification
【Name】
(2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPIN-1-YL)-CARBAMIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD10699146
【English Synonyms】
【Formula】
C12 H14 N2 O3
【MolWeight】
234.254
【Inchi】
InChI=1S/C12H14N2O3/c1-17-12(16)14-10-9-5-3-2-4-8(9)6-7-13-11(10)15/h2-5,10H,6-7H2,1H3,(H,13,15)(H,14,16)
【InChIKey】
InChIKey=CDXGBTHUBAPZAG-UHFFFAOYSA-N
【SMILES】
COC(=O)NC1c2ccccc2CCNC1=O
【MOL File】
(2-OXO-2,3,4,5-TETRA….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
(2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPIN-1-YL)-CARBAMIC ACID METHYL ESTER.cml