| CAS Number | 14731-40-9 |
| Catalog Number | AG001ES9(AGN-PC-0CHI1O) |
| Chemical Name | 1-(But-3-yn-1-yl)pyrrolidine hydrochloride |
| IUPAC Name | 1-but-3-ynylpyrrolidine |
| InChI | InChI=1S/C8H13N/c1-2-3-6-9-7-4-5-8-9/h1H,3-8H2 |
| InChI Key | WFEOGMWEZOBOAI-UHFFFAOYSA-N |
| MDL Number | MFCD18841064 |
| Molecular Formula | C8H14ClN |
| Molecular Weight | 159.6565 |
| SMILES | C#CCCN1CCCC1.[H]Cl |
| Synonyms | 1-(but-3-yn-1-yl)pyrrolidine,
14731-40-9,
Pyrrolidine, 1-(3-butyn-1-yl)-,
1-but-3-ynyl-pyrrolidine,
Pyrrolidine, 1-(3-butynyl)-,
SCHEMBL3770379,
CTK0E9120,
DTXSID30729414,
WFEOGMWEZOBOAI-UHFFFAOYSA-N,
ZINC70159427,
AKOS010954526,
F2147-2117,
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| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 123.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 123.199g/mol |
| Monoisotopic Mass | 123.105g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number