| CAS Number | 1379527-01-1 |
| Catalog Number | AG00IZF9(AGN-PC-0WAZ8P) |
| Chemical Name | tert-butyl 4-[(2-amino-3-methylphenyl)carbonyl]piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(2-amino-3-methylbenzoyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C17H25N3O3/c1-12-6-5-7-13(14(12)18)15(21)19-8-10-20(11-9-19)16(22)23-17(2,3)4/h5-7H,8-11,18H2,1-4H3 |
| InChI Key | JCPPMIIBBRGUAW-UHFFFAOYSA-N |
| MDL Number | MFCD22373670 |
| Molecular Formula | C17H25N3O3 |
| Molecular Weight | 319.3987 |
| SMILES | O=C(OC(C)(C)C)N2(CCN(C(=O)C1(=C(N)C(=CC=C1)C))CC2) |
| Synonyms | 1379527-01-1,
tert-butyl 4-[(2-amino-3-methylphenyl)carbonyl]piperazine-1-carboxylate,
tert-butyl 4-(2-amino-3-methylbenzoyl)piperazine-1-carboxylate,
KS-000024EH,
ZX-RL003281,
MFCD22373670,
ZINC72319846,
AKOS015991360,
DG-0700,
MCULE-5638856308,
OR310026,
BC4352859,
tert-Butyl 4-[(2-amino-3-methylphenyl)-carbonyl]piperazine-1-carboxylate,
|
| Complexity | 439 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.19g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.405g/mol |
| Monoisotopic Mass | 319.19g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number