| CAS Number | 613656-76-1 |
| Catalog Number | AG019J9S |
| Chemical Name | 3-Methoxy-4-(3-methylbutoxy)benzohydrazide |
| IUPAC Name | 3-methoxy-4-(3-methylbutoxy)benzohydrazide |
| InChI | InChI=1S/C13H20N2O3/c1-9(2)6-7-18-11-5-4-10(13(16)15-14)8-12(11)17-3/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16) |
| InChI Key | PAFTXTWDMVEPBK-UHFFFAOYSA-N |
| MDL Number | MFCD06260719 |
| Molecular Formula | C13H20N2O3 |
| Molecular Weight | 252.3095 |
| SMILES | COC1=C(OCCC(C)C)C=CC(C(NN)=O)=C1 |
| Synonyms | 3-methoxy-4-(3-methylbutoxy)benzohydrazide,
613656-76-1,
EN300-08908,
AC1M2B4J,
AC1Q479D,
CTK7F0235,
ZINC2650765,
AKOS002685246,
MCULE-1017795964,
NE18101,
SR-01000052953,
SR-01000052953-1,
Z55928982,
ZINC02650765,
CID2114018,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.314g/mol |
| Monoisotopic Mass | 252.147g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 73.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number