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102391-96-8 | Methanone, [4-(3-aminopropyl)-1-piperazinyl]phenyl-
CAS No: 102391-96-8 Catalog No: AG0007BY MDL No:MFCD10016029
Product Description
Catalog Number:
AG0007BY
Chemical Name:
Methanone, [4-(3-aminopropyl)-1-piperazinyl]phenyl-
CAS Number:
102391-96-8
Molecular Formula:
C14H21N3O
Molecular Weight:
247.3360
MDL Number:
MFCD10016029
IUPAC Name:
[4-(3-aminopropyl)piperazin-1-yl]-phenylmethanone
InChI:
InChI=1S/C14H21N3O/c15-7-4-8-16-9-11-17(12-10-16)14(18)13-5-2-1-3-6-13/h1-3,5-6H,4,7-12,15H2
InChI Key:
HGVVYPHEMWGVRH-UHFFFAOYSA-N
SMILES:
NCCCN1CCN(CC1)C(=O)c1ccccc1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.168g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.342g/mol
Monoisotopic Mass:
247.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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