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198896-00-3 | Piperazine, 2,5-dimethyl-1-(phenylmethyl)-, hydrochloride (1:2), (2R,5S)-rel-
CAS No: 198896-00-3 Catalog No: AG002BSM MDL No:MFCD26940182
Product Description
Catalog Number:
AG002BSM
Chemical Name:
Piperazine, 2,5-dimethyl-1-(phenylmethyl)-, hydrochloride (1:2), (2R,5S)-rel-
CAS Number:
198896-00-3
Molecular Formula:
C13H22Cl2N2
Molecular Weight:
277.2332
MDL Number:
MFCD26940182
IUPAC Name:
(2R,5S)-1-benzyl-2,5-dimethylpiperazine;dihydrochloride
InChI:
InChI=1S/C13H20N2.2ClH/c1-11-9-15(12(2)8-14-11)10-13-6-4-3-5-7-13;;/h3-7,11-12,14H,8-10H2,1-2H3;2*1H/t11-,12+;;/m0../s1
InChI Key:
NNOPREOUOQQPDC-UVDYRLMLSA-N
SMILES:
C[C@H]1CN[C@@H](CN1Cc1ccccc1)C.Cl.Cl
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
276.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
277.233g/mol
Monoisotopic Mass:
276.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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