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245487-62-1 | 1-Propanone, 2-amino-1-(4-methyl-1-piperazinyl)-, hydrochloride (1:2), (2S)-
CAS No: 245487-62-1 Catalog No: AG002OHW MDL No:
Product Description
Catalog Number:
AG002OHW
Chemical Name:
1-Propanone, 2-amino-1-(4-methyl-1-piperazinyl)-, hydrochloride (1:2), (2S)-
CAS Number:
245487-62-1
Molecular Formula:
C8H19Cl2N3O
Molecular Weight:
244.1620
IUPAC Name:
2-amino-1-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride
InChI:
InChI=1S/C8H17N3O.2ClH/c1-7(9)8(12)11-5-3-10(2)4-6-11;;/h7H,3-6,9H2,1-2H3;2*1H
InChI Key:
WQWJCMWMJVOJAS-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C(=O)[C@@H](N)C.Cl.Cl
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.091g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
244.16g/mol
Monoisotopic Mass:
243.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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