Home Aminos Benzoic acid, 4-butoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)

Benzoic acid, 4-butoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)

CAS No.:
2350-32-5
Catalog Number:
AG002NFR
Molecular Formula:
C17H28ClNO3
Molecular Weight:
329.8621
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Product Description
Catalog Number:
AG002NFR
Chemical Name:
Benzoic acid, 4-butoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CAS Number:
2350-32-5
Molecular Formula:
C17H28ClNO3
Molecular Weight:
329.8621
MDL Number:
MFCD00800726
IUPAC Name:
2-(diethylamino)ethyl 4-butoxybenzoate;hydrochloride
InChI:
InChI=1S/C17H27NO3.ClH/c1-4-7-13-20-16-10-8-15(9-11-16)17(19)21-14-12-18(5-2)6-3;/h8-11H,4-7,12-14H2,1-3H3;1H
InChI Key:
GDGCCLGDBQIELP-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)C(=O)OCCN(CC)CC.Cl
UNII:
VMC188I8JJ
Properties
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.176g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
329.865g/mol
Monoisotopic Mass:
329.176g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties