| CAS Number | 1095024-68-2 |
| Catalog Number | AG019R70 |
| Chemical Name | [3-(3-Methoxypropoxy)phenyl]methanamine |
| IUPAC Name | [3-(3-methoxypropoxy)phenyl]methanamine |
| InChI | InChI=1S/C11H17NO2/c1-13-6-3-7-14-11-5-2-4-10(8-11)9-12/h2,4-5,8H,3,6-7,9,12H2,1H3 |
| InChI Key | DTZCDHUTHYMNRA-UHFFFAOYSA-N |
| MDL Number | MFCD11620911 |
| Molecular Formula | C11H17NO2 |
| Molecular Weight | 195.2582 |
| SMILES | COCCCOC1=CC(CN)=CC=C1 |
| Synonyms | [3-(3-methoxypropoxy)phenyl]methanamine,
1095024-68-2,
AC1Q4FUQ,
SCHEMBL6044078,
ZINC37050768,
AKOS009422224,
NE26484,
EN300-89156,
Z2065616516,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.262g/mol |
| Monoisotopic Mass | 195.126g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number