| CAS Number | 182159-14-4 |
| Catalog Number | AG01AUWB(AGN-PC-01VTLC) |
| Chemical Name | 4-Cyano-2-methoxybenzylamine |
| IUPAC Name | 4-(aminomethyl)-3-methoxybenzonitrile |
| InChI | InChI=1S/C9H10N2O/c1-12-9-4-7(5-10)2-3-8(9)6-11/h2-4H,6,11H2,1H3 |
| InChI Key | JNJAPMLMOXTHJP-UHFFFAOYSA-N |
| MDL Number | MFCD11617330 |
| Molecular Formula | C9H10N2O |
| Molecular Weight | 162.1885 |
| SMILES | COC1=C(CN)C=CC(C#N)=C1 |
| Synonyms | 4-Aminomethyl-3-methoxybenzonitrile,
4-Cyano-2-methoxybenzylamine,
182159-14-4,
4-(aminomethyl)-3-methoxybenzonitrile,
SCHEMBL3288455,
JNJAPMLMOXTHJP-UHFFFAOYSA-N,
4-aminomethyl-3-methoxy-benzonitrile,
4-aminomethyl-3-methoxybenzenenitrile,
AKOS006317957,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.192g/mol |
| Monoisotopic Mass | 162.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number