| CAS Number | 72362-91-5 |
| Catalog Number | AG019W1P |
| Chemical Name | 4-amino-N-(prop-2-en-1-yl)benzamide |
| IUPAC Name | 4-amino-N-prop-2-enylbenzamide |
| InChI | InChI=1S/C10H12N2O/c1-2-7-12-10(13)8-3-5-9(11)6-4-8/h2-6H,1,7,11H2,(H,12,13) |
| InChI Key | HOCZMGVWCSGVEJ-UHFFFAOYSA-N |
| MDL Number | MFCD00523650 |
| Molecular Formula | C10H12N2O |
| Molecular Weight | 176.2151 |
| SMILES | NC1=CC=C(C(NCC=C)=O)C=C1 |
| Synonyms | 4-amino-N-(prop-2-en-1-yl)benzamide,
72362-91-5,
N-Allyl-4-aminobenzamide,
AC1Q51TH,
SCHEMBL8557641,
CTK5J4822,
ZINC19427177,
AKOS000172652,
MCULE-6822977970,
NE11570,
EN300-50175,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.219g/mol |
| Monoisotopic Mass | 176.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number