| CAS Number | 1155116-42-9 |
| Catalog Number | AG019WY6 |
| Chemical Name | 3-amino-4-(propan-2-yloxy)benzonitrile |
| IUPAC Name | 3-amino-4-propan-2-yloxybenzonitrile |
| InChI | InChI=1S/C10H12N2O/c1-7(2)13-10-4-3-8(6-11)5-9(10)12/h3-5,7H,12H2,1-2H3 |
| InChI Key | OVRYGMBCMISUCI-UHFFFAOYSA-N |
| MDL Number | MFCD12189633 |
| Molecular Formula | C10H12N2O |
| Molecular Weight | 176.2151 |
| SMILES | CC(OC1=C(N)C=C(C#N)C=C1)C |
| Synonyms | 3-amino-4-isopropoxybenzonitrile,
3-amino-4-(propan-2-yloxy)benzonitrile,
1155116-42-9,
3-Amino-4-isopropoxy-benzonitrile,
AC1Q1QMH,
SCHEMBL6114176,
CTK7C7560,
OVRYGMBCMISUCI-UHFFFAOYSA-N,
ZINC35674963,
AKOS009543484,
MCULE-1275913611,
NE29651,
EN300-53497,
AB01004615-01,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.219g/mol |
| Monoisotopic Mass | 176.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number