| CAS Number | 1107632-55-2 |
| Catalog Number | AG019EXW(AGN-PC-0WG47A) |
| Chemical Name | (4-(1H-1,2,3-Triazol-1-yl)phenyl)methanamine hydrochloride |
| IUPAC Name | [4-(triazol-1-yl)phenyl]methanamine;hydrochloride |
| InChI | InChI=1S/C9H10N4.ClH/c10-7-8-1-3-9(4-2-8)13-6-5-11-12-13;/h1-6H,7,10H2;1H |
| InChI Key | UNEHYEMYUJFBBU-UHFFFAOYSA-N |
| MDL Number | MFCD28384796 |
| Molecular Formula | C9H11ClN4 |
| Molecular Weight | 210.6634 |
| SMILES | Cl.NCC1=CC=C(N2N=NC=C2)C=C1 |
| Synonyms | 1107632-55-2,
(4-(1H-1,2,3-TRIAZOL-1-YL)PHENYL)METHANAMINE HCL,
(4-(1H-1,2,3-Triazol-1-yl)phenyl)methanamine hydrochloride,
[4-(triazol-1-yl)phenyl]methanamine;hydrochloride,
SCHEMBL6005235,
MFCD28384796,
AS-54981,
CS-0039095,
[4-(triazol-1-yl)phenyl]methanaminehydrochloride,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.665g/mol |
| Monoisotopic Mass | 210.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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