904818-03-7
3-AMINO-2-(4-[(TERT-BUTOXY)CARBONYL]PIPERAZIN-1-YL)BENZOIC ACID
Name3-AMINO-2-(4-[(TERT-BUTOXY)CARBONYL]PIPERAZIN-1-YL)BENZOIC ACID
1Identification
【Name】
3-AMINO-2-(4-[(TERT-BUTOXY)CARBONYL]PIPERAZIN-1-YL)BENZOIC ACID
【CAS】
【MDL】
MFCD06245574
【English Synonyms】
【Formula】
C16 H23 N3 O4
【MolWeight】
321.375
【Inchi】
InChI=1S/C16H23N3O4/c1-16(2,3)23-15(22)19-9-7-18(8-10-19)13-11(14(20)21)5-4-6-12(13)17/h4-6H,7-10,17H2,1-3H3,(H,20,21)
【InChIKey】
InChIKey=CHBKMODFHYFFOC-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCN(CC1)c2c(cccc2N)C(=O)O
【MOL File】
3-AMINO-2-(4-[(TERT-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-AMINO-2-(4-[(TERT-BUTOXY)CARBONYL]PIPERAZIN-1-YL)BENZOIC ACID.cml