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1588441-10-4 | 2-Piperazinemethanol, 1-(phenylmethyl)-, hydrochloride (1:1)
CAS No: 1588441-10-4 Catalog No: AG001QXW MDL No:MFCD26967956
Product Description
Catalog Number:
AG001QXW
Chemical Name:
2-Piperazinemethanol, 1-(phenylmethyl)-, hydrochloride (1:1)
CAS Number:
1588441-10-4
Molecular Formula:
C12H19ClN2O
Molecular Weight:
242.7451
MDL Number:
MFCD26967956
IUPAC Name:
(1-benzylpiperazin-2-yl)methanol;hydrochloride
InChI:
InChI=1S/C12H18N2O.ClH/c15-10-12-8-13-6-7-14(12)9-11-4-2-1-3-5-11;/h1-5,12-13,15H,6-10H2;1H
InChI Key:
OCYNUIPPLSAZDF-UHFFFAOYSA-N
SMILES:
OCC1CNCCN1Cc1ccccc1.Cl
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.119g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
242.747g/mol
Monoisotopic Mass:
242.119g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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