| CAS Number | 1246532-96-6 |
| Catalog Number | AG000MIE(AGN-PC-0WRAEJ) |
| Chemical Name | 1-Piperazinecarboxylic acid, 4-(4-amino-3-methoxyphenyl)-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)19-9-7-18(8-10-19)12-5-6-13(17)14(11-12)21-4/h5-6,11H,7-10,17H2,1-4H3 |
| InChI Key | RADGPXZWMLVDDP-UHFFFAOYSA-N |
| MDL Number | MFCD22192405 |
| Molecular Formula | C16H25N3O3 |
| Molecular Weight | 307.3880 |
| SMILES | O=C(N1CCN(C2=CC=C(N)C(OC)=C2)CC1)OC(C)(C)C |
| Synonyms | tert-butyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate,
1246532-96-6,
SCHEMBL1707770,
RADGPXZWMLVDDP-UHFFFAOYSA-N,
MFCD22192405,
ZINC95494828,
AKOS024438437,
Z8822,
tert-butyl-4-(4-amino-3-methoxyphenyl)piperazin-1-carboxylate,
tert-butyl 4-(4-amino-3-methoxy phenyl)piperazine-1-carboxylate,
tert-butyl 4-(4-amino-3-methoxy-phenyl)piperazine-1-carboxylate,
1-Piperazinecarboxylic acid, 4-(4-amino-3-methoxyphenyl)-, 1,1-dimethylethyl ester,
C16H25N3O3,
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| Complexity | 375 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.19g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.394g/mol |
| Monoisotopic Mass | 307.19g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number