| Pubchem Sid | 488183704 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488183704 |
| Canonical Smiles | CC(C)NCC1=CC=CC=C1 |
| IUPAC Name | N-benzylpropan-2-amine |
| InChIKey | LYBKPDDZTNUNNM-UHFFFAOYSA-N |
| INCHI | 1S/C10H15N/c1-9(2)11-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3 |
| Isomeric SMILES | CC(C)NCC1=CC=CC=C1 |
| WGK Germany | 3 |
| Molecular Weight | 149.23 |
| Beilstein | 2638437 |
| Reaxy-Rn | 2638437 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2638437&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 Dialkylamines Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylmethylamine - Benzylamine - Aralkylamine - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homomonocyclic 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I1422001 | Certificate of Analysis | Mar 20, 2026 | B100437 |
| J2527077 | Certificate of Analysis | Oct 28, 2025 | B100437 |
| K2129392 | Certificate of Analysis | Sep 08, 2025 | B100437 |
| H1715084 | Certificate of Analysis | Mar 04, 2025 | B100437 |
| D1728032 | Certificate of Analysis | Jan 17, 2025 | B100437 |
| D2418153 | Certificate of Analysis | Mar 22, 2024 | B100437 |
| D2418154 | Certificate of Analysis | Mar 22, 2024 | B100437 |
| E2324112 | Certificate of Analysis | Jun 01, 2023 | B100437 |
| Sensitivity | Moisture sensitive. |
|---|---|
| Refractive Index | 1.502 |
| Flash Point(°F) | 161.6 °F |
| Flash Point(°C) | 72 °C |
| Boil Point(°C) | 200°C |
| Molecular Weight | 149.230 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 149.12 Da |
| Monoisotopic Mass | 149.12 Da |
| Topological Polar Surface Area | 12.000 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 93.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Cui-Mei Liu, Hong-Yuan He, Lin Xu, Zhen-Dong Hua. (2020) New qualitative analysis strategy for illicit drugs using Raman spectroscopy and characteristic peaks method. Drug Testing and Analysis, 13 (3): (720-728). [PMID:33142047] [10.1002/dta.2963] |
