| CAS Number | 1384427-38-6 |
| Catalog Number | AG00HVAP(AGN-PC-0WR032) |
| Chemical Name | Ethyl 2-amino-3-(pyridin-4-yl)propanoate DiHCl |
| IUPAC Name | ethyl 2-amino-3-pyridin-4-ylpropanoate;dihydrochloride |
| InChI | InChI=1S/C10H14N2O2.2ClH/c1-2-14-10(13)9(11)7-8-3-5-12-6-4-8;;/h3-6,9H,2,7,11H2,1H3;2*1H |
| InChI Key | GLDATCZIZVRQCE-UHFFFAOYSA-N |
| MDL Number | MFCD22056415 |
| Molecular Formula | C10H16Cl2N2O2 |
| Molecular Weight | 267.1522 |
| SMILES | Cl.Cl.CCOC(C(CC1=CC=NC=C1)N)=O |
| Synonyms | 1384427-38-6,
ethyl 2-amino-3-(pyridin-4-yl)propanoate dihydrochloride,
Ethyl 2-amino-3-(pyridin-4-yl)propanoate DiHCl,
NE61518,
AS-38634,
ethyl 2-amino-3-(pyridin-4-yl)propanoate 2hcl,
phenylalanine, ethyl ester, 2hcl,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.15g/mol |
| Monoisotopic Mass | 266.059g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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