| CAS Number | 914603-85-3 |
| Catalog Number | AG00IKX2(AGN-PC-3H4542) |
| Chemical Name | (3S)-1-(propan-2-yl)pyrrolidin-3-amine |
| IUPAC Name | (3S)-1-propan-2-ylpyrrolidin-3-amine |
| InChI | InChI=1S/C7H16N2/c1-6(2)9-4-3-7(8)5-9/h6-7H,3-5,8H2,1-2H3/t7-/m0/s1 |
| InChI Key | SYMMPPWYYXRLJX-ZETCQYMHSA-N |
| MDL Number | MFCD11111639 |
| Molecular Formula | C7H16N2 |
| Molecular Weight | 128.2153 |
| SMILES | N[C@H]1CCN(C1)C(C)C |
| Synonyms | (S)-1-Isopropylpyrrolidin-3-amine,
914603-85-3,
(3S)-1-(PROPAN-2-YL)PYRROLIDIN-3-AMINE,
SCHEMBL2428595,
MFCD11111639,
ZINC22942078,
AKOS006305879,
AB63638,
AJ-81524,
AS-50782,
CS-0053288,
1149384-35-9,
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| Complexity | 90.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.219g/mol |
| Monoisotopic Mass | 128.131g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number