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2060040-69-7 | 1-[(1,2-oxazol-5-yl)methyl]piperazine dihydrochloride
CAS No: 2060040-69-7 Catalog No: AG01C0F0 MDL No:MFCD30497975
Product Description
Catalog Number:
AG01C0F0
Chemical Name:
1-[(1,2-oxazol-5-yl)methyl]piperazine dihydrochloride
CAS Number:
2060040-69-7
Molecular Formula:
C8H15Cl2N3O
Molecular Weight:
240.1302
MDL Number:
MFCD30497975
IUPAC Name:
5-(piperazin-1-ylmethyl)-1,2-oxazole;dihydrochloride
InChI:
InChI=1S/C8H13N3O.2ClH/c1-2-10-12-8(1)7-11-5-3-9-4-6-11;;/h1-2,9H,3-7H2;2*1H
InChI Key:
BEEIQSAZWMUYDT-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)Cc1ccno1.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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