Ethyl 3-amino-3-(3-nitrophenyl)propanoate hydrochloride - CAS 283613-07-0
Catalog: |
BB065883 |
Product Name: |
Ethyl 3-amino-3-(3-nitrophenyl)propanoate hydrochloride |
CAS: |
283613-07-0 |
Synonyms: |
ethyl 3-amino-3-(3-nitrophenyl)propanoate hydrochloride; Ethyl 3-amino-3-(3-nitrophenyl)propanoate, HCl; ethyl 3-amino-3-(3-nitrophenyl)propanoate; hydrochloride |
IUPAC Name: | ethyl 3-amino-3-(3-nitrophenyl)propanoatehydrochloride |
Description: | Ethyl 3-amino-3-(3-nitrophenyl)propanoate, HCl |
Molecular Weight: | 274.7 |
Molecular Formula: | C11H15ClN2O4 |
Canonical SMILES: | CCOC(=O)CC(C1=CC(=CC=C1)[N+](=O)[O-])N.Cl |
InChI: | InChI=1S/C11H14N2O4.ClH/c1-2-17-11(14)7-10(12)8-4-3-5-9(6-8)13(15)16/h3-6,10H,2,7,12H2,1H31H |
InChI Key: | HPVKNRFSSQCXRA-UHFFFAOYSA-N |
Solubility: | >41.2 ug/ml |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.0720347 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.0720347 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 98.1Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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