| CAS Number | 329004-08-2 |
| Catalog Number | AG00CL9M(AGN-PC-0R89YA) |
| Chemical Name | 4-(4-aminophenethyl)piperazine-1-carboxylic acid tert-butyl ester |
| IUPAC Name | tert-butyl 4-[2-(4-aminophenyl)ethyl]piperazine-1-carboxylate |
| InChI | InChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20-12-10-19(11-13-20)9-8-14-4-6-15(18)7-5-14/h4-7H,8-13,18H2,1-3H3 |
| InChI Key | UUFMWTVUJADGLZ-UHFFFAOYSA-N |
| MDL Number | MFCD11590790 |
| Molecular Formula | C17H27N3O2 |
| Molecular Weight | 305.4152 |
| SMILES | CC(C)(C)OC(=O)N1CCN(CCC2=CC=C(N)C=C2)CC1 |
| Synonyms | 329004-08-2,
4-(4-aminophenethyl)piperazine-1-carboxylic acid tert-butyl ester,
tert-butyl 4-(4-aminophenethyl)piperazine-1-carboxylate,
tert-butyl 4-[2-(4-aminophenyl)ethyl]piperazine-1-carboxylate,
SCHEMBL4572803,
CTK8E4570,
DTXSID20651235,
OTAVA-BB 1202440,
UUFMWTVUJADGLZ-UHFFFAOYSA-N,
MFCD11590790,
ZINC19726919,
AKOS015948192,
MCULE-1485055955,
ACM329004082,
BP-11955,
NS-05164,
OR307780,
RT-009190,
K-7614,
4-[2-(4-amino-phenyl)-ethyl]-piperazine-1-carboxylic acid tert-butyl ester,
4-[2-(4-Boc-piperazin-1-yl)ethyl]aniline,
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| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.21g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.422g/mol |
| Monoisotopic Mass | 305.21g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number