| CAS Number | 675602-78-5 |
| Catalog Number | AG00FAWF(AGN-PC-0TOU06) |
| Chemical Name | (s)-1-pyrrolidin-2-isopropyl-2-(n-cbz-n-methyl)amino-ethane |
| IUPAC Name | benzyl N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]carbamate |
| InChI | InChI=1S/C18H28N2O2/c1-15(2)17(13-20-11-7-8-12-20)19(3)18(21)22-14-16-9-5-4-6-10-16/h4-6,9-10,15,17H,7-8,11-14H2,1-3H3/t17-/m1/s1 |
| InChI Key | SZXQJQQYDXXTEK-QGZVFWFLSA-N |
| MDL Number | MFCD03426457 |
| Molecular Formula | C18H28N2O2 |
| Molecular Weight | 304.4271 |
| SMILES | CC(C)[C@@H](CN1CCCC1)N(C)C(=O)OCC1=CC=CC=C1 |
| Synonyms | 675602-78-5,
(S)-1-Pyrrolidin-2-isopropyl-2-(N-Cbz-N-Methyl)amino-ethane,
(S)-BENZYL METHYL(3-METHYL-1-(PYRROLIDIN-1-YL)BUTAN-2-YL)CARBAMATE,
AC1MC2WH,
(S)-METHYL-(2-METHYL-1-PYRROLIDIN-1-YLMETHYL-PROPYL)-CARBAMIC ACID BENZYL ESTER,
DTXSID40375209,
ZINC2580999,
MFCD03426457,
AB14981,
AS-40853,
AB0079627,
AX8048531,
X-1593,
(R)-benzyl methyl(3-methyl-1-(pyrrolidin-1-yl)butan-2-yl)carbamate,
(S)-1-PYRROLIDIN-2-(N-CBZ-N-METHYL)AMINO-3-METHYL-BUTANE,
benzyl N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]carbamate,
CID2760534,
A12806,
-1-PYRROLIDIN-2-ISOPROPYL-2- AMINO-ETHANE,
Benzyl N-methyl-N-(3-methyl-1-pyrrolidin-1-yl-butan-2-yl)carbamate,
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| Complexity | 334 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.215g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.434g/mol |
| Monoisotopic Mass | 304.215g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 32.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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