| CAS Number | 675602-79-6 |
| Catalog Number | AG00FAW4(AGN-PC-0TOU0N) |
| Chemical Name | (s)-1-pyrrolidin-2-methyl-2-(n-cbz-n-methyl)amino-ethane |
| IUPAC Name | benzyl N-methyl-N-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]carbamate |
| InChI | InChI=1S/C16H24N2O2/c1-14(12-18-10-6-7-11-18)17(2)16(19)20-13-15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3/t14-/m0/s1 |
| InChI Key | SRLKSFOHRPUQLI-AWEZNQCLSA-N |
| MDL Number | MFCD03426451 |
| Molecular Formula | C16H24N2O2 |
| Molecular Weight | 276.3740 |
| SMILES | C[C@@H](CN1CCCC1)N(C)C(=O)OCC1=CC=CC=C1 |
| Synonyms | 675602-79-6,
(S)-1-Pyrrolidin-2-methyl-2-(N-Cbz-N-Methyl)amino-ethane,
(S)-benzyl methyl(1-(pyrrolidin-1-yl)propan-2-yl)carbamate,
AC1NWJ9Q,
benzyl N-methyl-N-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]carbamate,
CTK5J1809,
ZINC2580993,
MFCD03426451,
AB14969,
FCH3668355,
(S)-METHYL-(1-METHYL-2-PYRROLIDIN-1-YL-ETHYL)-CARBAMIC ACID BENZYL ESTER,
AS-41143,
AB0079656,
AX8036076,
X-1712,
CID5706553,
Benzyl N-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)carbamate,
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| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.38g/mol |
| Monoisotopic Mass | 276.184g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 32.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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