| CAS Number | 864069-25-0 |
| Catalog Number | AG00GYD5(AGN-PC-00DUTU) |
| Chemical Name | (3-(Pyridin-4-yl)phenyl)methanamine |
| IUPAC Name | (3-pyridin-4-ylphenyl)methanamine |
| InChI | InChI=1S/C12H12N2/c13-9-10-2-1-3-12(8-10)11-4-6-14-7-5-11/h1-8H,9,13H2 |
| InChI Key | BNBPIAMMLAHLAM-UHFFFAOYSA-N |
| MDL Number | MFCD11932663 |
| Molecular Formula | C12H12N2 |
| Molecular Weight | 184.2371 |
| SMILES | N1=CC=C(C=C1)C=1C=C(C=CC1)CN |
| Synonyms | 864069-25-0,
(3-(Pyridin-4-yl)phenyl)methanamine,
Benzenemethanamine, 3-(4-pyridinyl)-,
3-(4-pyridinyl)benzenemethanamine,
[3-(pyridin-4-yl)phenyl]methanamine,
SCHEMBL301749,
DTXSID70470377,
OTAVA-BB 1364657,
ZINC33428441,
AKOS010308302,
MCULE-1774791955,
AJ-86105,
A1-00986,
F2167-0747,
(3-pyridin-4-ylphenyl)methanamine,
3-(4-Pyridinyl)benzenemethanamine 2HCl,
CID11672788,
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| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.242g/mol |
| Monoisotopic Mass | 184.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number