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1227955-30-7 | 3-[4-(3,4-Dichlorobenzyl)homopiperazin-1-yl]propanoic acid
CAS No: 1227955-30-7 Catalog No: AG01FGKE MDL No:
Product Description
Catalog Number:
AG01FGKE
Chemical Name:
3-[4-(3,4-Dichlorobenzyl)homopiperazin-1-yl]propanoic acid
CAS Number:
1227955-30-7
IUPAC Name:
3-[4-[(3,4-dichlorophenyl)methyl]-1,4-diazepan-1-yl]propanoic acid
InChI:
InChI=1S/C15H20Cl2N2O2/c16-13-3-2-12(10-14(13)17)11-19-6-1-5-18(8-9-19)7-4-15(20)21/h2-3,10H,1,4-9,11H2,(H,20,21)
InChI Key:
UPDPPDHYAHSTEN-UHFFFAOYSA-N
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.237g/mol
Monoisotopic Mass:
330.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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