| CAS Number | 115661-38-6 |
| Catalog Number | AG000GP7(AGN-PC-0P7XDI) |
| Chemical Name | 2-Amino-5-methoxy-benzonitrile HCl |
| IUPAC Name | 2-amino-5-methoxybenzonitrile;hydrochloride |
| InChI | InChI=1S/C8H8N2O.ClH/c1-11-7-2-3-8(10)6(4-7)5-9;/h2-4H,10H2,1H3;1H |
| InChI Key | MJWXYQXNVUUIHJ-UHFFFAOYSA-N |
| MDL Number | MFCD18909469 |
| Molecular Formula | C8H9ClN2O |
| Molecular Weight | 184.6229 |
| SMILES | N#CC1=CC(OC)=CC=C1N.[H]Cl |
| Synonyms | 115661-38-6,
2-Amino-5-methoxybenzonitrile hydrochloride,
2-Amino-5-methoxy-benzonitrile hydrochloride,
CTK4A9427,
DTXSID20679934,
2-Amino-5-methoxy-benzonitrile HCl,
AKOS015899306,
QC-8784,
RP24495,
AX8259007,
Z-8115,
J-507960,
I14-12096,
2-Amino-5-methoxybenzonitrile--hydrogen chloride (1/1),
Benzonitrile, 2-amino-5-methoxy-, hydrochloride (1:1),
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.623g/mol |
| Monoisotopic Mass | 184.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number