| CAS Number | 675138-83-7 |
| Catalog Number | AG00FGYW(AGN-PC-03ZB4J) |
| Chemical Name | Methyl 4-amino-3-(propylamino)benzoate |
| IUPAC Name | methyl 4-amino-3-(propylamino)benzoate |
| InChI | InChI=1S/C11H16N2O2/c1-3-6-13-10-7-8(11(14)15-2)4-5-9(10)12/h4-5,7,13H,3,6,12H2,1-2H3 |
| InChI Key | AFCULDLVWJNWLE-UHFFFAOYSA-N |
| MDL Number | MFCD23135904 |
| Molecular Formula | C11H16N2O2 |
| Molecular Weight | 208.2569 |
| SMILES | CCCNc1cc(ccc1N)C(=O)OC |
| Synonyms | Methyl 4-amino-3-(propylamino)benzoate,
675138-83-7,
SCHEMBL1205232,
AFCULDLVWJNWLE-UHFFFAOYSA-N,
Benzoic acid, 4-amino-3-(propylamino)-, methyl ester (9CI),
ZINC39087044,
methyl 4-amino-3-propylamino-benzoate,
CJ-19732,
V7234,
4-amino-3-propylaminobenzoic Acid Methyl Ester,
C11H16N2O2,
Benzoicacid,4-amino-3- -,methylester,
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| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.261g/mol |
| Monoisotopic Mass | 208.121g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number