| CAS Number | 98960-81-7 |
| Catalog Number | AG01BFIE(AGN-PC-05T5PN) |
| Chemical Name | 2-Amino-N-(2-aminoethyl)benzamide |
| IUPAC Name | 2-amino-N-(2-aminoethyl)benzamide |
| InChI | InChI=1S/C9H13N3O/c10-5-6-12-9(13)7-3-1-2-4-8(7)11/h1-4H,5-6,10-11H2,(H,12,13) |
| InChI Key | CPVBIJDFUDYJIO-UHFFFAOYSA-N |
| MDL Number | MFCD11869114 |
| Molecular Formula | C9H13N3O |
| Molecular Weight | 179.2190 |
| SMILES | NC1=C(C(=O)NCCN)C=CC=C1 |
| Synonyms | 2-amino-N-(2-aminoethyl)benzamide,
2-amino-N-(2-aminoethyl)benzamide,
98960-81-7,
SCHEMBL890994,
N-(2-Aminoethyl)-2-aminobenzamide,
ZINC32501155,
AKOS010498951,
NE42094,
Benzamide, 2-amino-N-(2-aminoethyl)-,
Benzamide,2-amino-N-(2-aminoethyl)-,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.223g/mol |
| Monoisotopic Mass | 179.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
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Certificate of Analysis
Lot Number