≥98 atom% D,≥98%(CP) 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.
| Pubchem Sid | 528775233 |
|---|---|
| Canonical Smiles | C1=CC=C(C=C1)CCN |
| IUPAC Name | 1,1,2,2-tetradeuterio-2-phenylethanamine |
| InChIKey | BHHGXPLMPWCGHP-KXGHAPEVSA-N |
| INCHI | 1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2/i6D2,7D2 |
| Isomeric SMILES | [2H]C([2H])(C1=CC=CC=C1)C([2H])([2H])N |
| Alternate CAS | 64-04-0（Unlabelled） |
| Molecular Weight | 125.19 |
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 | Phenethylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenethylamines |
| Alternative Parents | 2-arylethylamines Aralkylamines Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenethylamine - 2-arylethylamine - Aralkylamine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine. |
| 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 |
|---|---|---|---|
 G2616296 | Certificate of Analysis | Jul 11, 2026 | P357791 |
| G2616300 | Certificate of Analysis | Jul 11, 2026 | P357791 |
| G2616310 | Certificate of Analysis | Jul 11, 2026 | P357791 |
| B2521603 | Certificate of Analysis | Feb 17, 2025 | P357791 |
| B2521605 | Certificate of Analysis | Feb 17, 2025 | P357791 |
| B2521606 | Certificate of Analysis | Feb 17, 2025 | P357791 |
| Sensitivity | air sensitive；heat sensitive |
|---|---|
| x_boil_point_char | 197-200 °C (lit.) |
| Molecular Weight | 125.200 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 125.114 Da |
| Monoisotopic Mass | 125.114 Da |
| Topological Polar Surface Area | 26.000 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 65.000 |
| Isotope Atom Count | 4 |
| 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 |
