Home Aminos (2E)-3-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-propenoicAcidHydrochloride

(2E)-3-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-propenoicAcidHydrochloride

CAS No.:
444565-47-3
Catalog Number:
AG01E4I5
Molecular Formula:
C13H18ClNO3
Molecular Weight:
271.7399
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Product Description
Catalog Number:
AG01E4I5
Chemical Name:
(2E)-3-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-propenoicAcidHydrochloride
CAS Number:
444565-47-3
Molecular Formula:
C13H18ClNO3
Molecular Weight:
271.7399
MDL Number:
MFCD26936219
IUPAC Name:
(E)-3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enoic acid;hydrochloride
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
SMILES:
CN(CCOc1ccc(cc1)/C=C/C(=O)O)C.Cl
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
271.098g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
271.741g/mol
Monoisotopic Mass:
271.098g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties