| CAS Number | 550302-87-9 |
| Catalog Number | AG00DCTI(AGN-PC-0SIKBK) |
| Chemical Name | 5-(1-pyrrolidinyl)-3-pentyn-1-ol |
| IUPAC Name | 5-pyrrolidin-1-ylpent-3-yn-1-ol |
| InChI | InChI=1S/C9H15NO/c11-9-5-1-2-6-10-7-3-4-8-10/h11H,3-9H2 |
| InChI Key | QLIJEQBMVOXHHZ-UHFFFAOYSA-N |
| MDL Number | MFCD02012811 |
| Molecular Formula | C9H15NO |
| Molecular Weight | 153.2215 |
| SMILES | C(CN1CCCC1)#CCCO |
| Synonyms | 550302-87-9,
5-(PYRROLIDIN-1-YL)PENT-3-YN-1-OL,
5-pyrrolidin-1-ylpent-3-yn-1-ol,
5-(1-pyrrolidinyl)-3-pentyn-1-ol,
AC1MU7O2,
DTXSID40394258,
ZINC5630991,
ZX-CM015888,
FCH835711,
MFCD02012811,
AKOS003604390,
AJ-54433,
AS-38754,
3-Pentyn-1-ol,5-(1-pyrrolidinyl)-(9CI),
W-8935,
3-Pentyn-1-ol,5- -,
CID3614035,
3-Pentyn-1-ol, 5-(1-pyrrolidinyl)- (9CI),
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.225g/mol |
| Monoisotopic Mass | 153.115g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 23.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number