| CAS Number | 914498-27-4 |
| Catalog Number | AG00IGP3(AGN-PC-0WD75G) |
| Chemical Name | (3S)-1-(propan-2-yl)pyrrolidin-3-aminedihydrochloride |
| IUPAC Name | (3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride |
| InChI | InChI=1S/C7H16N2.2ClH/c1-6(2)9-4-3-7(8)5-9;;/h6-7H,3-5,8H2,1-2H3;2*1H/t7-;;/m0../s1 |
| InChI Key | VBJDQXDPLUEPER-KLXURFKVSA-N |
| MDL Number | MFCD29038330 |
| Molecular Formula | C7H18Cl2N2 |
| Molecular Weight | 201.1372 |
| SMILES | Cl.Cl.CC(N1C[C@@H](N)CC1)C |
| Synonyms | 914498-27-4,
(3S)-1-(propan-2-yl)pyrrolidin-3-amine dihydrochloride,
(3S)-1-(Propan-2-yl)pyrrolidin-3-amine 2HCl,
(3S)-1-(propan-2-yl)pyrrolidin-3-aminedihydrochloride,
SCHEMBL2157658,
VBJDQXDPLUEPER-KLXURFKVSA-N,
MFCD29038330,
AKOS030238122,
SB15801,
KS-000005Z0,
AS-52880,
CS-0053287,
(3S)-1-(Propan-2-yl)pyrrolidin-3-amine diHCl,
(3S)-1-isopropylpyrrolidin-3-amine dihydrochloride,
(3R)-1-(propan-2-yl)pyrrolidin-3-amine dihydrochloride,
1201013-61-7,
|
| Complexity | 90.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.135g/mol |
| Monoisotopic Mass | 200.085g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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