| CAS Number | 1264243-44-8 |
| Catalog Number | AG000SSE(AGN-PC-0WAGAI) |
| Chemical Name | Carbamic acid, N-[(3R,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1) |
| IUPAC Name | [(3R,5S)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamic acid |
| InChI | InChI=1S/C6H12N2O3/c9-3-5-1-4(2-7-5)8-6(10)11/h4-5,7-9H,1-3H2,(H,10,11)/t4-,5+/m1/s1 |
| InChI Key | HALMHLQVTZLDDJ-UHNVWZDZSA-N |
| MDL Number | MFCD28101740 |
| Molecular Formula | C10H21ClN2O3 |
| Molecular Weight | 252.7383 |
| SMILES | O=C(OC(C)(C)C)N[C@H]1CN[C@H](CO)C1.[H]Cl |
| Synonyms | ((3R,5S)-5-(Hydroxymethyl)pyrrolidin-3-yl)carbamic acid,
1264243-44-8,
SCHEMBL11899106,
MFCD28101740,
ZINC98181554,
AKOS024262494,
ACN-051138,
AK158450,
AJ-142661,
AX8292231,
ST24033379,
Carbamic acid, N-[(3R,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]-,
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| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.173g/mol |
| Monoisotopic Mass | 160.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 81.6A^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
Lot Number