| CAS Number | 1152568-81-4 |
| Catalog Number | AG019X8L |
| Chemical Name | [4-(1,3-dioxaindan-5-yl)oxan-4-yl]methanamine |
| IUPAC Name | [4-(1,3-benzodioxol-5-yl)oxan-4-yl]methanamine |
| InChI | InChI=1S/C13H17NO3/c14-8-13(3-5-15-6-4-13)10-1-2-11-12(7-10)17-9-16-11/h1-2,7H,3-6,8-9,14H2 |
| InChI Key | CHEZMMVHADBLRW-UHFFFAOYSA-N |
| MDL Number | MFCD10691327 |
| Molecular Formula | C13H17NO3 |
| Molecular Weight | 235.2790 |
| SMILES | NCC1(C2=CC3=C(OCO3)C=C2)CCOCC1 |
| Synonyms | [4-(2H-1,3-benzodioxol-5-yl)oxan-4-yl]methanamine,
1152568-81-4,
AC1Q53QN,
ZINC34940527,
AKOS005202330,
MCULE-8203716650,
NE18248,
EN300-54349,
Z1222331857,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.283g/mol |
| Monoisotopic Mass | 235.121g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number