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116331-14-7 | 1-Piperazinebutanamine, 4-(3-chlorophenyl)-
CAS No: 116331-14-7 Catalog No: AG000C8J MDL No:
Product Description
Catalog Number:
AG000C8J
Chemical Name:
1-Piperazinebutanamine, 4-(3-chlorophenyl)-
CAS Number:
116331-14-7
Molecular Formula:
C14H22ClN3
Molecular Weight:
267.7976
IUPAC Name:
4-[4-(3-chlorophenyl)piperazin-1-yl]butan-1-amine
InChI:
InChI=1S/C14H22ClN3/c15-13-4-3-5-14(12-13)18-10-8-17(9-11-18)7-2-1-6-16/h3-5,12H,1-2,6-11,16H2
InChI Key:
KEYKSGMTHPRQBZ-UHFFFAOYSA-N
SMILES:
NCCCCN1CCN(CC1)c1cccc(c1)Cl
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.15g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.801g/mol
Monoisotopic Mass:
267.15g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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