| CAS Number | 1392879-11-6 |
| Catalog Number | AG00HVIP(AGN-PC-0WQXN2) |
| Chemical Name | 1-(benzo[d][1,3]dioxol-5-ylmethyl)-2-methylhydrazine |
| IUPAC Name | 1-(1,3-benzodioxol-5-ylmethyl)-2-methylhydrazine |
| InChI | InChI=1S/C9H12N2O2/c1-10-11-5-7-2-3-8-9(4-7)13-6-12-8/h2-4,10-11H,5-6H2,1H3 |
| InChI Key | CYICPOSIPFQSQM-UHFFFAOYSA-N |
| MDL Number | MFCD28053741 |
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.2038 |
| SMILES | O1COC2=C1C=CC(=C2)CNNC |
| Synonyms | 1392879-11-6,
1-(1,3-Benzodioxol-5-ylmethyl)-2-methylhydrazine,
1-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-methylhydrazine,
MFCD28053741,
ZINC95917783,
AKOS027251758,
AS-31436,
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| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.207g/mol |
| Monoisotopic Mass | 180.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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