| CAS Number | 1788058-40-1 |
| Catalog Number | AG0026DM(AGN-PC-0WNGYN) |
| Chemical Name | Carbamic acid, N-methyl-N-(3S)-3-pyrrolidinyl-, 1,1-dimethylethyl ester, hydrochloride (1:1) |
| IUPAC Name | tert-butyl N-methyl-N-[(3S)-pyrrolidin-3-yl]carbamate;hydrochloride |
| InChI | InChI=1S/C10H20N2O2.ClH/c1-10(2,3)14-9(13)12(4)8-5-6-11-7-8;/h8,11H,5-7H2,1-4H3;1H/t8-;/m0./s1 |
| InChI Key | GQKDCIVYKGWBBH-QRPNPIFTSA-N |
| MDL Number | MFCD28142657 |
| Molecular Formula | C10H21ClN2O2 |
| Molecular Weight | 236.7389 |
| SMILES | CN([C@@H]1CNCC1)C(OC(C)(C)C)=O.[H]Cl |
| Synonyms | 1788058-40-1,
tert-butyl N-methyl-N-[(3S)-pyrrolidin-3-yl]carbamate hydrochloride,
(S)-3-(N-Boc-N-methylamino)pyrrolidine HCl,
(S)-tert-butyl Methyl(pyrrolidin-3-yl)carbamate HCl,
(S)-tert-Butyl methyl(pyrrolidin-3-yl)carbamate hydrochloride,
KS-000006IC,
AKOS027329784,
SB19890,
AS-37018,
CS-0047885,
(S)-tert-butyl pyrrolidin-3-ylmethylcarbamate hydrochloride,
Carbamic acid, N-methyl-N-(3S)-3-pyrrolidinyl-, 1,1-dimethylethyl ester, hydrochloride (1:1),
169750-01-0,
1075260-66-0,
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| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.129156g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.74g/mol |
| Monoisotopic Mass | 236.129156g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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