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Home > Nitro Compounds > 461664-02-8
461664-02-8 | 1-(2-methyl-4-nitrophenyl)piperazine hydrochloride
CAS No: 461664-02-8 Catalog No: AG00JHG6 MDL No:MFCD05182255
Product Description
Catalog Number:
AG00JHG6
Chemical Name:
1-(2-methyl-4-nitrophenyl)piperazine hydrochloride
CAS Number:
461664-02-8
Molecular Formula:
C11H15N3O2
Molecular Weight:
221.2557
MDL Number:
MFCD05182255
IUPAC Name:
1-(2-methyl-4-nitrophenyl)piperazine
InChI:
InChI=1S/C11H15N3O2/c1-9-8-10(14(15)16)2-3-11(9)13-6-4-12-5-7-13/h2-3,8,12H,4-7H2,1H3
InChI Key:
OVKXEUNBXUPEAP-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1N1CCNCC1)[N+](=O)[O-]
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.26g/mol
Monoisotopic Mass:
221.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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