Ethyl 3-Amino-3-[4-(pentyloxy)phenyl]propanoate hydrochloride - CAS 1049735-51-4
Catalog: |
BB065924 |
Product Name: |
Ethyl 3-Amino-3-[4-(pentyloxy)phenyl]propanoate hydrochloride |
CAS: |
1049735-51-4 |
Synonyms: |
β-Amino-4-(pentyloxy)-ethyl Ester Benzenepropanoic Acid Hydrochloride |
IUPAC Name: | ethyl 3-amino-3-(4-pentoxyphenyl)propanoatehydrochloride |
Description: | Ethyl 3-amino-3-[4-(pentyloxy)phenyl]propanoate, HCl |
Molecular Weight: | 279.37 +(36.46) |
Molecular Formula: | C16H25NO3·HCl |
Canonical SMILES: | CCCCCOC1=CC=C(C=C1)C(CC(=O)OCC)N.Cl |
InChI: | InChI=1S/C16H25NO3.ClH/c1-3-5-6-11-20-14-9-7-13(8-10-14)15(17)12-16(18)19-4-2/h7-10,15H,3-6,11-12,17H2,1-2H31H |
InChI Key: | FSOXDPCGJDOTQV-UHFFFAOYSA-N |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 315.1601214 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 315.1601214 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 61.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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