| CAS Number | 1027156-38-2 |
| Catalog Number | AG01BH6P |
| Chemical Name | N1-(1-Methoxypropan-2-yl)benzene-1,2-diamine |
| IUPAC Name | 2-N-(1-methoxypropan-2-yl)benzene-1,2-diamine |
| InChI | InChI=1S/C10H16N2O/c1-8(7-13-2)12-10-6-4-3-5-9(10)11/h3-6,8,12H,7,11H2,1-2H3 |
| InChI Key | ZRHGRGRWUGSKGJ-UHFFFAOYSA-N |
| MDL Number | MFCD11187063 |
| Molecular Formula | C10H16N2O |
| Molecular Weight | 180.2468 |
| SMILES | COCC(NC1=C(N)C=CC=C1)C |
| Synonyms | N1-(1-methoxypropan-2-yl)benzene-1,2-diamine,
1027156-38-2,
F1911-3660,
CID9989852,
N-(1-methoxypropan-2-yl)benzene-1,2-diamine,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.251g/mol |
| Monoisotopic Mass | 180.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 47.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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