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Basic Description
| Synonyms | EINECS 212-273-5 | MFCD00075484 | Q-103567 | SCHEMBL72716 | B1597 | AC-22524 | SY002286 | SY004143 | Z370712446 | EN300-51286 | FT-0630049 | 1-Benzyl-3-pyrrolidinol | A9810 | (rac)-1-(phenylmethyl)-3-pyrrolidinol | 1-N-Benzyl-3-hydroxypyrrolidine | 1-(phe |
|---|---|
| Specifications & Purity | ≥96% |
| Storage Temp | Argon charged |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Phenylmethylamines
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylmethylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylmethylamines |
| Alternative Parents | Benzylamines Aralkylamines N-alkylpyrrolidines Trialkylamines Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzylamine - Phenylmethylamine - Aralkylamine - N-alkylpyrrolidine - Pyrrolidine - 1,2-aminoalcohol - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Alcohol - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 488184428 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184428 |
| IUPAC Name | 1-benzylpyrrolidin-3-ol |
| INCHI | InChI=1S/C11H15NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2 |
| InChIKey | YQMXOIAIYXXXEE-UHFFFAOYSA-N |
| Smiles | C1CN(CC1O)CC2=CC=CC=C2 |
| Isomeric SMILES | C1CN(CC1O)CC2=CC=CC=C2 |
| WGK Germany | 1 |
| Molecular Weight | 177.24 |
| Beilstein | 6039 |
| Reaxy-Rn | 6039 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6039&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H1319046 |
Certificate of Analysis | Mar 04, 2025 | B121668 |
| C2314260 |
Certificate of Analysis | Mar 21, 2023 | B121668 |
| C2314267 |
Certificate of Analysis | Nov 24, 2022 | B121668 |
| C2314253 |
Certificate of Analysis | Nov 24, 2022 | B121668 |
| L2213421 |
Certificate of Analysis | Nov 24, 2022 | B121668 |
| L2213420 |
Certificate of Analysis | Nov 24, 2022 | B121668 |
| C1827053 |
Certificate of Analysis | Jan 20, 2022 | B121668 |
| C1827052 |
Certificate of Analysis | Jan 20, 2022 | B121668 |
Chemical and Physical Properties
| Sensitivity | Light Sensitive,Air Sensitive |
|---|---|
| Refractive Index | 1.548 |
| Flash Point(°F) | 230 °F |
| Flash Point(°C) | 110 °C |
| Boil Point(°C) | 113-115°C |
| Molecular Weight | 177.240 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 177.115 Da |
| Monoisotopic Mass | 177.115 Da |
| Topological Polar Surface Area | 23.500 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 154.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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