| CAS Number | 1426958-47-5 |
| Catalog Number | AG009X7R(AGN-PC-0WADX1) |
| Chemical Name | Methyl 4-amino-3-(cyclopropylamino)benzoate |
| IUPAC Name | methyl 4-amino-3-(cyclopropylamino)benzoate |
| InChI | InChI=1S/C11H14N2O2/c1-15-11(14)7-2-5-9(12)10(6-7)13-8-3-4-8/h2,5-6,8,13H,3-4,12H2,1H3 |
| InChI Key | GOCXYNHJJAUVFC-UHFFFAOYSA-N |
| MDL Number | MFCD23699486 |
| Molecular Formula | C11H14N2O2 |
| Molecular Weight | 206.2411 |
| SMILES | COC(=O)c1ccc(c(c1)NC1CC1)N |
| Synonyms | Methyl 4-amino-3-(cyclopropylamino)benzoate,
1426958-47-5,
SCHEMBL20337638,
ZINC95217847,
AKOS021109716,
SY233356,
V3224,
MFCD23699486 (95%),
C11H14N2O2,
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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