| CAS Number | 1408057-41-9 |
| Catalog Number | AG001CSI(AGN-PC-0WCKF3) |
| Chemical Name | 1-Pyrrolidinecarboxylic acid, 2-(aminomethyl)-2-methyl-, 1,1-dimethylethyl ester, (2S)- |
| IUPAC Name | tert-butyl (2S)-2-(aminomethyl)-2-methylpyrrolidine-1-carboxylate |
| InChI | InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-7-5-6-11(13,4)8-12/h5-8,12H2,1-4H3/t11-/m0/s1 |
| InChI Key | KTQQDWACAUDUJC-NSHDSACASA-N |
| MDL Number | MFCD23106103 |
| Molecular Formula | C11H22N2O2 |
| Molecular Weight | 214.3046 |
| SMILES | O=C(N1[C@](C)(CN)CCC1)OC(C)(C)C |
| Synonyms | 1408057-41-9,
(2S)-1-Boc-2-methylpyrrolidine-2-methanamine,
(S)-tert-butyl 2-(aminomethyl)-2-methylpyrrolidine-1-carboxylate,
tert-butyl (2S)-2-(aminomethyl)-2-methylpyrrolidine-1-carboxylate,
MFCD23106103,
ZINC82370853,
FCH3560669,
PB38693,
SB20869,
KS-000007M6,
AK169945,
AS-51818,
CS-0048620,
Q-3087,
1-Pyrrolidinecarboxylic acid, 2-(aminomethyl)-2-methyl-, 1,1-dimethylethyl ester, (2S)-,
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| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.309g/mol |
| Monoisotopic Mass | 214.168g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number