| CAS Number | 877996-08-2 |
| Catalog Number | AG019LKK(AGN-PC-0168JL) |
| Chemical Name | N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine |
| IUPAC Name | N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine |
| InChI | InChI=1S/C12H17NO2/c1-14-11-5-6-12(15-2)9(7-11)8-13-10-3-4-10/h5-7,10,13H,3-4,8H2,1-2H3 |
| InChI Key | MXVSAODVABXUET-UHFFFAOYSA-N |
| MDL Number | MFCD09740511 |
| Molecular Formula | C12H17NO2 |
| Molecular Weight | 207.2689 |
| SMILES | COC1=CC(CNC2CC2)=C(OC)C=C1 |
| Synonyms | N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine,
N-(2,5-dimethoxybenzyl)cyclopropanamine,
877996-08-2,
AC1Q48GZ,
SCHEMBL5798027,
CTK7A6296,
ZINC19255203,
AKOS000147300,
MCULE-5558893203,
NE37637,
EN300-31580,
Z86138875,
F8889-3938,
Benzenemethanamine, N-cyclopropyl-2,5-dimethoxy,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.273g/mol |
| Monoisotopic Mass | 207.126g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number