Determine the necessary mass, volume, or concentration for preparing a solution.
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≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1CN(CC1NCC2=CC=CC=C2)CC3=CC=CC=C3 |
|---|---|
| IUPAC Name | N,1-dibenzylpyrrolidin-3-amine |
| InChIKey | BHEXKVGLZMEJRQ-UHFFFAOYSA-N |
| INCHI | 1S/C18H22N2/c1-3-7-16(8-4-1)13-19-18-11-12-20(15-18)14-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2 |
| Isomeric SMILES | C1CN(CC1NCC2=CC=CC=C2)CC3=CC=CC=C3 |
| Molecular Weight | 266.39 |
| Reaxy-Rn | 13556192 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13556192&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| 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 Dialkylamines Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzylamine - Phenylmethylamine - Aralkylamine - N-alkylpyrrolidine - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Secondary amine - Azacycle - Secondary aliphatic amine - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - 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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| Sensitivity | Air Sensitive |
|---|---|
| Refractive Index | 1.57 |
| Flash Point(°C) | 145 °C |
| Molecular Weight | 266.400 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 266.178 Da |
| Monoisotopic Mass | 266.178 Da |
| Topological Polar Surface Area | 15.300 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 267.000 |
| 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 |