| CAS Number | 848819-84-1 |
| Catalog Number | AG004MF2(AGN-PC-0DXMWB) |
| Chemical Name | Methyl 3-amino-4-(cyclopropylamino)benzoate |
| IUPAC Name | methyl 3-amino-4-(cyclopropylamino)benzoate |
| InChI | InChI=1S/C11H14N2O2/c1-15-11(14)7-2-5-10(9(12)6-7)13-8-3-4-8/h2,5-6,8,13H,3-4,12H2,1H3 |
| InChI Key | NDUMYKHASAAPMO-UHFFFAOYSA-N |
| MDL Number | MFCD08448266 |
| Molecular Formula | C11H14N2O2 |
| Molecular Weight | 206.2411 |
| SMILES | COC(=O)c1ccc(c(c1)N)NC1CC1 |
| Synonyms | Methyl 3-amino-4-(cyclopropylamino)benzoate,
848819-84-1,
ACMC-209px8,
CTK8B2406,
DTXSID10734182,
ANW-37866,
KM2241,
ZINC41046115,
AKOS010565554,
CJ-20289,
AJ-103923,
TC-126611,
V7968,
Methyl 3-amino-4- (cyclopropylamino)benzoate,
C11H14N2O2,
Methyl3-amino-4-(cyclopropylamino)benzoate,
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| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.245g/mol |
| Monoisotopic Mass | 206.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number