| CAS Number | 1153122-37-2 |
| Catalog Number | AG019ZYP |
| Chemical Name | 4-methanesulfonyl-N1-(2-methoxyethyl)benzene-1,2-diamine |
| IUPAC Name | 1-N-(2-methoxyethyl)-4-methylsulfonylbenzene-1,2-diamine |
| InChI | InChI=1S/C10H16N2O3S/c1-15-6-5-12-10-4-3-8(7-9(10)11)16(2,13)14/h3-4,7,12H,5-6,11H2,1-2H3 |
| InChI Key | PTAASAQVEIEYQQ-UHFFFAOYSA-N |
| MDL Number | MFCD12172798 |
| Molecular Formula | C10H16N2O3S |
| Molecular Weight | 244.3106 |
| SMILES | COCCNC1=C(N)C=C(S(C)(=O)=O)C=C1 |
| Synonyms | 4-methanesulfonyl-1-N-(2-methoxyethyl)benzene-1,2-diamine,
1153122-37-2,
4-methanesulfonyl-N1-(2-methoxyethyl)benzene-1,2-diamine,
ZINC35329337,
AKOS009487900,
MCULE-8092029711,
NE25462,
RP28662,
Z1416203178,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.309g/mol |
| Monoisotopic Mass | 244.088g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 89.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number