| CAS Number | 886365-13-5 |
| Catalog Number | AG004A1M(AGN-PC-0VMVCU) |
| Chemical Name | 3-N-BOC-AMINO-1-[2-AMINO-1-(3-AMINO-PHENYL)-ETHYL]-PYRROLIDINE |
| IUPAC Name | tert-butyl N-[1-[2-amino-1-(3-aminophenyl)ethyl]pyrrolidin-3-yl]carbamate |
| InChI | InChI=1S/C17H28N4O2/c1-17(2,3)23-16(22)20-14-7-8-21(11-14)15(10-18)12-5-4-6-13(19)9-12/h4-6,9,14-15H,7-8,10-11,18-19H2,1-3H3,(H,20,22) |
| InChI Key | BGCOMNOCPUUCFI-UHFFFAOYSA-N |
| MDL Number | MFCD07369900 |
| Molecular Formula | C17H28N4O2 |
| Molecular Weight | 320.4298 |
| SMILES | O(C(C)(C)C)C(NC1CCN(C1)C(CN)C1=CC=CC(=C1)N)=O |
| Synonyms | 886365-13-5,
3-n-boc-amino-1-[2-amino-1-(3-amino-phenyl)-ethyl]-pyrrolidine,
tert-Butyl (1-(2-amino-1-(3-aminophenyl)ethyl)pyrrolidin-3-yl)carbamate,
(1-[2-amino-1-(3-amino-phenyl)-ethyl]-pyrrolidin-3-yl)-carbamic acid tert-butyl ester,
tert-Butyl {1-[2-amino-1-(3-aminophenyl)ethyl]pyrrolidin-3-yl}carbamate,
{1-[2-Amino-1-(3-amino-phenyl)-ethyl]-pyrrolidin-3-yl}-carbamic acid tert-butyl ester,
DTXSID60661454,
MFCD07369900,
AB32390,
AS-36782,
AX8040535,
RT-008824,
X-2015,
A842764,
3-N-Boc-amino-1-[2-amino-1-(3-aminophenyl)ethyl] pyrrolidine,
3-n-boc-amino-1-[2-amino-1-(3-aminophenyl)ethyl]pyrrolidine,
tert-butyl N-[1-[2-amino-1-(3-aminophenyl)ethyl]pyrrolidin-3-yl]carbamate,
N-[1-[2-amino-1-(3-aminophenyl)ethyl]-3-pyrrolidinyl]carbamic acid tert-butyl ester,
tert-butyl N-[1-[1-(3-aminophenyl)-2-azanyl-ethyl]pyrrolidin-3-yl]carbamate,
3-N-BOC-AMINO-1-[2-AMINO-1- -ETHYL]-PYRROLIDINE,
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| Complexity | 397 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.221g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.437g/mol |
| Monoisotopic Mass | 320.221g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 93.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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