| CAS Number | 1162257-52-4 |
| Catalog Number | AG000BZ3(AGN-PC-0WD36E) |
| Chemical Name | (2-ethynylphenyl)methanamine hydrochloride |
| IUPAC Name | (2-ethynylphenyl)methanamine;hydrochloride |
| InChI | InChI=1S/C9H9N.ClH/c1-2-8-5-3-4-6-9(8)7-10;/h1,3-6H,7,10H2;1H |
| InChI Key | PMDYYAUPICMOPS-UHFFFAOYSA-N |
| MDL Number | MFCD26793460 |
| Molecular Formula | C9H10ClN |
| Molecular Weight | 167.6354 |
| SMILES | Cl.NCC1=C(C#C)C=CC=C1 |
| Synonyms | (2-Ethynylphenyl)methanamine hydrochloride,
1162257-52-4,
DTXSID70856894,
AX8260006,
1-(2-Ethynylphenyl)methanamine--hydrogen chloride (1/1),
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| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.636g/mol |
| Monoisotopic Mass | 167.05g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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