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1219957-44-4 | 2-Piperazinone, 4-(3-pyrrolidinyl)-, hydrochloride (1:2)
CAS No: 1219957-44-4 Catalog No: AG0016IK MDL No:MFCD13561594
Product Description
Catalog Number:
AG0016IK
Chemical Name:
2-Piperazinone, 4-(3-pyrrolidinyl)-, hydrochloride (1:2)
CAS Number:
1219957-44-4
Molecular Formula:
C8H17Cl2N3O
Molecular Weight:
242.1461
MDL Number:
MFCD13561594
IUPAC Name:
4-pyrrolidin-3-ylpiperazin-2-one;dihydrochloride
InChI:
InChI=1S/C8H15N3O.2ClH/c12-8-6-11(4-3-10-8)7-1-2-9-5-7;;/h7,9H,1-6H2,(H,10,12);2*1H
InChI Key:
JNAJQXWERRIRRD-UHFFFAOYSA-N
SMILES:
O=C1NCCN(C1)C1CNCC1.Cl.Cl
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
242.144g/mol
Monoisotopic Mass:
241.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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