| CAS Number | 1023277-27-1 |
| Catalog Number | AG00992R |
| Chemical Name | 3-(3-Methoxypropoxy)aniline |
| IUPAC Name | 3-(3-methoxypropoxy)aniline |
| InChI | InChI=1S/C10H15NO2/c1-12-6-3-7-13-10-5-2-4-9(11)8-10/h2,4-5,8H,3,6-7,11H2,1H3 |
| InChI Key | KZSOJALGYPNCKI-UHFFFAOYSA-N |
| MDL Number | MFCD11652535 |
| Molecular Formula | C10H15NO2 |
| Molecular Weight | 181.2316 |
| SMILES | NC1=CC=CC(OCCCOC)=C1 |
| Synonyms | 3-(3-methoxypropoxy)aniline,
1023277-27-1,
3-(3-Methoxypropoxy)benzenamine,
SCHEMBL2062745,
DTXSID20655930,
KZSOJALGYPNCKI-UHFFFAOYSA-N,
MFCD11652535,
ZINC37476740,
AKOS009386758,
NE30332,
AJ-94030,
AS-47375,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.235g/mol |
| Monoisotopic Mass | 181.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number