| CAS Number | 1618083-32-1 |
| Catalog Number | AG019F0H |
| Chemical Name | Methyl 3-amino-4-(aminomethyl)benzoate |
| IUPAC Name | methyl 3-amino-4-(aminomethyl)benzoate |
| InChI | InChI=1S/C9H12N2O2/c1-13-9(12)6-2-3-7(5-10)8(11)4-6/h2-4H,5,10-11H2,1H3 |
| InChI Key | GASCKTFGJNNFTO-UHFFFAOYSA-N |
| MDL Number | MFCD30738657 |
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.2038 |
| SMILES | COC(=O)c1ccc(CN)c(N)c1 |
| Synonyms | methyl 3-amino-4-(aminomethyl)benzoate,
1618083-32-1,
SCHEMBL15862062,
GASCKTFGJNNFTO-UHFFFAOYSA-N,
ZINC142124405,
CS-0059773,
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| Complexity | 185 |
| 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 | 78.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number