| CAS Number | 889942-49-8 |
| Catalog Number | AG00440B(AGN-PC-051M98) |
| Chemical Name | 2-phenyl-3-pyrrolidin-1-yl-propan-1-ol |
| IUPAC Name | 2-phenyl-3-pyrrolidin-1-ylpropan-1-ol |
| InChI | InChI=1S/C13H19NO/c15-11-13(10-14-8-4-5-9-14)12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2 |
| InChI Key | XDCCPZJVTGAGIX-UHFFFAOYSA-N |
| MDL Number | MFCD08061234 |
| Molecular Formula | C13H19NO |
| Molecular Weight | 205.2961 |
| SMILES | OCC(CN1CCCC1)C1C=CC=CC=1 |
| Synonyms | 889942-49-8,
2-Phenyl-3-pyrrolidin-1-yl-propan-1-ol,
2-Phenyl-3-(pyrrolidin-1-yl)propan-1-ol,
1-Pyrrolidinepropanol, b-phenyl-,
SCHEMBL3589625,
CTK5G2098,
DTXSID30661365,
XDCCPZJVTGAGIX-UHFFFAOYSA-N,
MFCD08061234,
AKOS016845823,
AB43264,
2-phenyl-3-pyrrolidin-1-yl propan-1-ol,
AS-38233,
AX8037217,
RT-007980,
X-1623,
2-phenyl-3-pyrrolidin-1-yl-propan-1-ol, AldrichCPR,
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| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.301g/mol |
| Monoisotopic Mass | 205.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 23.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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