| CAS Number | 914202-85-0 |
| Catalog Number | AG01E2S6 |
| Chemical Name | [1-(butan-2-yl)pyrrolidin-3-yl]methanamine |
| IUPAC Name | (1-butan-2-ylpyrrolidin-3-yl)methanamine |
| InChI | InChI=1S/C9H20N2/c1-3-8(2)11-5-4-9(6-10)7-11/h8-9H,3-7,10H2,1-2H3 |
| InChI Key | UXHLFFAPGDGJKW-UHFFFAOYSA-N |
| MDL Number | MFCD09759245 |
| Molecular Formula | C9H20N2 |
| Molecular Weight | 156.2685 |
| SMILES | CCC(N1CC(CN)CC1)C |
| Synonyms | 1-[1-(butan-2-yl)pyrrolidin-3-yl]methanamine,
BBL021735,
STK894452,
AKOS000177484,
AKOS022060538,
NCGC00337830-01,
[1-(butan-2-yl)pyrrolidin-3-yl]methanamine,
AB01330048-02,
[1-(sec-butyl)tetrahydro-1H-pyrrol-3-yl]methanamine,
914202-85-0,
|
| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.162649g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.27g/mol |
| Monoisotopic Mass | 156.162649g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.3Ų |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number