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85817-34-1 | (4-Benzylpiperazin-2-yl);methanol
CAS No: 85817-34-1 Catalog No: AG003BUN MDL No:MFCD03001699
Product Description
Catalog Number:
AG003BUN
Chemical Name:
(4-Benzylpiperazin-2-yl);methanol
CAS Number:
85817-34-1
Molecular Formula:
C12H18N2O
Molecular Weight:
206.2841
MDL Number:
MFCD03001699
IUPAC Name:
(4-benzylpiperazin-2-yl)methanol
InChI:
InChI=1S/C12H18N2O/c15-10-12-9-14(7-6-13-12)8-11-4-2-1-3-5-11/h1-5,12-13,15H,6-10H2
InChI Key:
PJMFGDYBTJEEDP-UHFFFAOYSA-N
SMILES:
OCC1NCCN(C1)Cc1ccccc1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.142g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.289g/mol
Monoisotopic Mass:
206.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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