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89292-70-6 | 1-(4-Cyanobenzyl)piperazine
CAS No: 89292-70-6 Catalog No: AG0040UO MDL No:MFCD04972584
Product Description
Catalog Number:
AG0040UO
Chemical Name:
1-(4-Cyanobenzyl)piperazine
CAS Number:
89292-70-6
Molecular Formula:
C12H15N3
Molecular Weight:
201.2676
MDL Number:
MFCD04972584
IUPAC Name:
4-(piperazin-1-ylmethyl)benzonitrile
InChI:
InChI=1S/C12H15N3/c13-9-11-1-3-12(4-2-11)10-15-7-5-14-6-8-15/h1-4,14H,5-8,10H2
InChI Key:
RPOOHOJBILYQET-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)CN1CCNCC1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.273g/mol
Monoisotopic Mass:
201.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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