4-(2-Dimethylamino)ethoxycinnamic Acid Hydrochloride - CAS 1807885-04-6
Catalog: |
BB063001 |
Product Name: |
4-(2-Dimethylamino)ethoxycinnamic Acid Hydrochloride |
CAS: |
1807885-04-6 |
Synonyms: |
3-{4-[2-(dimethylamino)ethoxy]phenyl}prop-2-enoic acid hydrochloride; (E)-3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enoic acid; hydrochloride; (2E)-3-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-propenoicAcidHydrochloride; 4-(2-Dimethylamino)ethoxycinnamic Acid Hydrochloride |
IUPAC Name: | (E)-3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enoic acidhydrochloride |
Description: | 4-(2-Dimethylamino)ethoxycinnamic Acid is used in the preparation of bradykinin antagonists in the regulation of blood pressure. |
Molecular Weight: | 271.74 |
Molecular Formula: | C13H18ClNO3 |
Canonical SMILES: | CN(C)CCOC1=CC=C(C=C1)C=CC(=O)O.Cl |
InChI: | InChI=1S/C13H17NO3.ClH/c1-14(2)9-10-17-12-6-3-11(4-7-12)5-8-13(15)16/h3-8H,9-10H2,1-2H3,(H,15,16)1H/b8-5+ |
InChI Key: | ITEIUMNRHOHHEM-HAAWTFQLSA-N |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 271.0975211 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.0975211 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 49.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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