| CAS Number | 1019776-84-1 |
| Catalog Number | AG01A1B2(AGN-PC-0WO0BH) |
| Chemical Name | (2,2-dimethyl-1,3-dioxaindan-5-yl)methanamine |
| IUPAC Name | (2,2-dimethyl-1,3-benzodioxol-5-yl)methanamine |
| InChI | InChI=1S/C10H13NO2/c1-10(2)12-8-4-3-7(6-11)5-9(8)13-10/h3-5H,6,11H2,1-2H3 |
| InChI Key | AZFZYNWXGOTZFG-UHFFFAOYSA-N |
| MDL Number | MFCD20726280 |
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.2157 |
| SMILES | CC1(OC2=C(C=CC(=C2)CN)O1)C |
| Synonyms | (2,2-dimethyl-2H-1,3-benzodioxol-5-yl)methanamine,
1019776-84-1,
(2,2-dimethylbenzo[d][1,3]dioxol-5-yl)methanamine,
SCHEMBL4014702,
AZFZYNWXGOTZFG-UHFFFAOYSA-N,
ZINC83254904,
AKOS023798271,
SB13500,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.219g/mol |
| Monoisotopic Mass | 179.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number