| CAS Number | 1630815-53-0 |
| Catalog Number | AG001TOF(AGN-PC-0WCX9D) |
| Chemical Name | (R)-tert-Butyl 2-(aminomethyl)-2-ethylpyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl (2R)-2-(aminomethyl)-2-ethylpyrrolidine-1-carboxylate |
| InChI | InChI=1S/C12H24N2O2/c1-5-12(9-13)7-6-8-14(12)10(15)16-11(2,3)4/h5-9,13H2,1-4H3/t12-/m1/s1 |
| InChI Key | ZYKIXJFPSFUIRP-GFCCVEGCSA-N |
| MDL Number | MFCD27987099 |
| Molecular Formula | C12H24N2O2 |
| Molecular Weight | 228.3312 |
| SMILES | NC[C@@]1(N(CCC1)C(=O)OC(C)(C)C)CC |
| Synonyms | 1630815-53-0,
(R)-tert-Butyl 2-(aminomethyl)-2-ethylpyrrolidine-1-carboxylate,
tert-butyl (2R)-2-(aminomethyl)-2-ethylpyrrolidine-1-carboxylate,
MFCD27987099,
ZINC169804705,
FCH4055513,
SB12130,
KS-000004M4,
AK171051,
AS-52082,
CS-0048657,
(2R)-1-Boc-2-ethylpyrrolidine-2-methanamine,
1-Pyrrolidinecarboxylic acid, 2-(aminomethyl)-2-ethyl-, 1,1-dimethylethyl ester, (2R)-,
tert-butyl (2S)-2-(aminomethyl)-2-ethylpyrrolidine-1-carboxylate,
1630815-50-7,
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| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.336g/mol |
| Monoisotopic Mass | 228.184g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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