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1955561-52-0 | 1-[(1,3-oxazol-2-yl)methyl]piperazine dihydrochloride
CAS No: 1955561-52-0 Catalog No: AG01C6G3 MDL No:MFCD29991505
Product Description
Catalog Number:
AG01C6G3
Chemical Name:
1-[(1,3-oxazol-2-yl)methyl]piperazine dihydrochloride
CAS Number:
1955561-52-0
Molecular Formula:
C8H15Cl2N3O
Molecular Weight:
240.1302
MDL Number:
MFCD29991505
IUPAC Name:
2-(piperazin-1-ylmethyl)-1,3-oxazole;dihydrochloride
InChI:
InChI=1S/C8H13N3O.2ClH/c1-4-11(5-2-9-1)7-8-10-3-6-12-8;;/h3,6,9H,1-2,4-5,7H2;2*1H
InChI Key:
SCVHEXCABZPPDE-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)Cc1ncco1.Cl.Cl
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
240.128g/mol
Monoisotopic Mass:
239.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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