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102698-88-4 | [1,1'-Biphenyl]-2-carboxylic acid, 3-(diethylamino)propyl ester, hydrochloride (1:1)
CAS No: 102698-88-4 Catalog No: AG000858 MDL No:
Product Description
Catalog Number:
AG000858
Chemical Name:
[1,1'-Biphenyl]-2-carboxylic acid, 3-(diethylamino)propyl ester, hydrochloride (1:1)
CAS Number:
102698-88-4
Molecular Formula:
C20H26ClNO2
Molecular Weight:
347.8789
IUPAC Name:
3-(diethylamino)propan-1-ol;2-phenylbenzoic acid
InChI:
InChI=1S/C13H10O2.C7H17NO/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-3-8(4-2)6-5-7-9/h1-9H,(H,14,15);9H,3-7H2,1-2H3
InChI Key:
ODFHDBKMOFANHD-UHFFFAOYSA-N
SMILES:
CCN(CCCOC(=O)c1ccccc1c1ccccc1)CC.Cl
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.199g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
329.44g/mol
Monoisotopic Mass:
329.199g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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