| CAS Number | 675602-76-3 |
| Catalog Number | AG00FAVQ(AGN-PC-0TOTZ6) |
| Chemical Name | (S)-(1-Hydroxymethyl-2-pyrrolidin-1-yl-ethyl)-methyl-carbamic acid benzyl ester |
| IUPAC Name | benzyl N-[(2S)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-N-methylcarbamate |
| InChI | InChI=1S/C16H24N2O3/c1-17(15(12-19)11-18-9-5-6-10-18)16(20)21-13-14-7-3-2-4-8-14/h2-4,7-8,15,19H,5-6,9-13H2,1H3/t15-/m0/s1 |
| InChI Key | CQVKXKBHQQPCCC-HNNXBMFYSA-N |
| MDL Number | MFCD03426459 |
| Molecular Formula | C16H24N2O3 |
| Molecular Weight | 292.3734 |
| SMILES | CN([C@H](CO)CN1CCCC1)C(=O)OCC1=CC=CC=C1 |
| Synonyms | 675602-76-3,
(S)-Benzyl (1-hydroxy-3-(pyrrolidin-1-yl)propan-2-yl)(methyl)carbamate,
(S)-1-Pyrrolidin-2-hydroxymethyll-2-(N-Cbz-N-Methyl)amino-ethane,
(S)-(1-HYDROXYMETHYL-2-PYRROLIDIN-1-YL-ETHYL)-METHYL-CARBAMIC ACID BENZYL ESTER,
(S)-1-PYRROLIDIN-2-HYDROXYMETHYL-2-(N-CBZ-N-METHYL)AMINO-ETHANE,
DTXSID80654383,
ZINC2581000,
MFCD03426459,
AB14982,
AS-41156,
AB0079662,
AX8048529,
X-2423,
A835810,
Benzyl [(2S)-1-hydroxy-3-(pyrrolidin-1-yl)propan-2-yl]methylcarbamate,
(phenylmethyl) N-methyl-N-[(2S)-1-oxidanyl-3-pyrrolidin-1-yl-propan-2-yl]carbamate,
N-[(2S)-1-hydroxy-3-(1-pyrrolidinyl)propan-2-yl]-N-methylcarbamic acid (phenylmethyl) ester,
-1-PYRROLIDIN-2-HYDROXYMETHYLL-2- AMINO-ETHANE,
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| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.379g/mol |
| Monoisotopic Mass | 292.179g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 53A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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