| CAS Number | 121494-75-5 |
| Catalog Number | AG00IKDM(AGN-PC-02MR23) |
| Chemical Name | 1-NAphthalenecarboxamide, N-(2-aminoethyl)- |
| IUPAC Name | N-(2-aminoethyl)naphthalene-1-carboxamide |
| InChI | InChI=1S/C13H14N2O/c14-8-9-15-13(16)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9,14H2,(H,15,16) |
| InChI Key | TZAOYMNVPMVLDK-UHFFFAOYSA-N |
| MDL Number | MFCD04352200 |
| Molecular Formula | C13H14N2O |
| Molecular Weight | 214.2631 |
| SMILES | NCCNC(=O)c1cccc2ccccc12 |
| Synonyms | 1-Naphthalenecarboxamide, N-(2-aminoethyl)-,
121494-75-5,
SCHEMBL1913803,
ZINC19269137,
AKOS000152820,
n-(2-aminoethyl)naphthalene-1-carboxamide,
1-Naphthalenecarboxamide, N-(2-aminoethyl)-1,2,3,4-tetrahydro-,
84460-89-9,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.268g/mol |
| Monoisotopic Mass | 214.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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