| CAS Number | 933737-28-1 |
| Catalog Number | AG019Y9V(AGN-PC-0WOKJW) |
| Chemical Name | N1-(3,5-dimethoxyphenyl)ethane-1,2-diamine |
| IUPAC Name | N'-(3,5-dimethoxyphenyl)ethane-1,2-diamine |
| InChI | InChI=1S/C10H16N2O2/c1-13-9-5-8(12-4-3-11)6-10(7-9)14-2/h5-7,12H,3-4,11H2,1-2H3 |
| InChI Key | RYLDKTVRIBLNPM-UHFFFAOYSA-N |
| MDL Number | MFCD21097236 |
| Molecular Formula | C10H16N2O2 |
| Molecular Weight | 196.2462 |
| SMILES | COC1=CC(OC)=CC(NCCN)=C1 |
| Synonyms | 933737-28-1,
N1-(3,5-Dimethoxyphenyl)ethane-1,2-diamine,
N*1*-(3,5-Dimethoxy-phenyl)-ethane-1,2-diamine,
N-(2-aminoethyl)-3,5-dimethoxyaniline,
ZINC79421393,
AKOS018229637,
MCULE-1840275416,
NE16706,
AM101644,
N-(3,5-Dimethoxyphenyl)-1,2-ethanediamine,
Z1501469794,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.25g/mol |
| Monoisotopic Mass | 196.121g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 56.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number