| CAS Number | 1461707-76-5 |
| Catalog Number | AG00AM0M(AGN-PC-0WOQU2) |
| Chemical Name | 1,3-dioxaindan-4-amine hydrochloride |
| IUPAC Name | 1,3-benzodioxol-4-amine;hydrochloride |
| InChI | InChI=1S/C7H7NO2.ClH/c8-5-2-1-3-6-7(5)10-4-9-6;/h1-3H,4,8H2;1H |
| InChI Key | LAAASZBYAYVVNI-UHFFFAOYSA-N |
| MDL Number | MFCD25371739 |
| Molecular Formula | C7H8ClNO2 |
| Molecular Weight | 173.5969 |
| SMILES | Cl.NC1=C2C(OCO2)=CC=C1 |
| Synonyms | Benzo[d][1,3]dioxol-4-amine hydrochloride,
1461707-76-5,
2H-1,3-benzodioxol-4-amine hydrochloride,
AKOS026741310,
NE17173,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.596g/mol |
| Monoisotopic Mass | 173.024g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number