| CAS Number | 1240526-40-2 |
| Catalog Number | AG01A9IG(AGN-PC-0WOUWE) |
| Chemical Name | [(1,3-dioxaindan-4-yl)methyl](ethyl)amine hydrochloride |
| IUPAC Name | N-(1,3-benzodioxol-4-ylmethyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C10H13NO2.ClH/c1-2-11-6-8-4-3-5-9-10(8)13-7-12-9;/h3-5,11H,2,6-7H2,1H3;1H |
| InChI Key | KXKJSNRBONZQIC-UHFFFAOYSA-N |
| MDL Number | MFCD16622097 |
| Molecular Formula | C10H14ClNO2 |
| Molecular Weight | 215.6767 |
| SMILES | Cl.CCNCC1=C2C(OCO2)=CC=C1 |
| Synonyms | (2H-1,3-benzodioxol-4-ylmethyl)(ethyl)amine hydrochloride,
1240526-40-2,
AC1Q39VG,
AKOS008135765,
MCULE-6226127570,
NE55935,
EN300-65192,
Z1262327424,
[(2H-1,3-benzodioxol-4-yl)methyl](ethyl)amine hydrochloride,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.677g/mol |
| Monoisotopic Mass | 215.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number