| CAS Number | 159730-65-1 |
| Catalog Number | AG01B8I4 |
| Chemical Name | [4-(Dimethoxymethyl)phenyl]methanamine |
| IUPAC Name | [4-(dimethoxymethyl)phenyl]methanamine |
| InChI | InChI=1S/C10H15NO2/c1-12-10(13-2)9-5-3-8(7-11)4-6-9/h3-6,10H,7,11H2,1-2H3 |
| InChI Key | RSPXZDQFZRULSP-UHFFFAOYSA-N |
| MDL Number | MFCD20694732 |
| Molecular Formula | C10H15NO2 |
| Molecular Weight | 181.2316 |
| SMILES | C1(=CC=C(C=C1)CN)C(OC)OC |
| Synonyms | [4-(dimethoxymethyl)phenyl]methanamine,
159730-65-1,
SCHEMBL7349245,
[4-(Dimethoxymethyl)benzyl]amine,
ALBB-031534,
MFCD20694732,
AKOS024201612,
ZINC168450103,
1-[4-(dimethoxymethyl)phenyl]methanamine,
F2163-0173,
|
| Complexity | 129 |
| 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 | 4 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number