| CAS Number | 1034975-35-3 |
| Catalog Number | AG01DF6B |
| Chemical Name | tert-Butyl2-Amino-4-(4-methyl-1-piperazinyl)benzoate |
| IUPAC Name | tert-butyl 2-amino-4-(4-methylpiperazin-1-yl)benzoate |
| InChI | InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)13-6-5-12(11-14(13)17)19-9-7-18(4)8-10-19/h5-6,11H,7-10,17H2,1-4H3 |
| InChI Key | DIFVPEGUJIXKOC-UHFFFAOYSA-N |
| MDL Number | MFCD26384463 |
| Molecular Formula | C16H25N3O2 |
| Molecular Weight | 291.3886 |
| SMILES | O=C(OC(C)(C)C)C1=CC=C(N2CCN(C)CC2)C=C1N |
| Synonyms | 1034975-35-3,
tert-butyl 2-amino-4-(4-methylpiperazin-1-yl)benzoate,
tert-Butyl 2-Amino-4-(4-methyl-1-piperazinyl)benzoate,
SCHEMBL589358,
DIFVPEGUJIXKOC-UHFFFAOYSA-N,
MFCD26384463,
AKOS032961177,
SY060689,
CS-0059763,
MFCD26384463 (95%),
t-Butyl 2-amino-4-(4-methylpiperazin-1-yl)benzoate,
tert-Butyl2-Amino-4-(4-methyl-1-piperazinyl)benzoate,
2-amino-4-(4-methyl-piperazin-1-yl)-benzoic acid tert-butyl ester,
|
| Complexity | 359 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.195g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.395g/mol |
| Monoisotopic Mass | 291.195g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number