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Home > Nitro Compounds > 1029987-67-4
1029987-67-4 | 4-methyl-2-nitro-5-(4-phenylpiperazin-1-yl)aniline hydrochloride
CAS No: 1029987-67-4 Catalog No: AG00IU5B MDL No:MFCD04035636
Product Description
Catalog Number:
AG00IU5B
Chemical Name:
4-methyl-2-nitro-5-(4-phenylpiperazin-1-yl)aniline hydrochloride
CAS Number:
1029987-67-4
Molecular Formula:
C17H20ClN4O2
Molecular Weight:
347.8193
MDL Number:
MFCD04035636
IUPAC Name:
4-methyl-2-nitro-5-(4-phenylpiperazin-1-ium-1-yl)aniline;chloride
InChI:
InChI=1S/C17H20N4O2.ClH/c1-13-11-17(21(22)23)15(18)12-16(13)20-9-7-19(8-10-20)14-5-3-2-4-6-14;/h2-6,11-12H,7-10,18H2,1H3;1H
InChI Key:
PDDURACLOWXLEJ-UHFFFAOYSA-N
SMILES:
Cc1cc([N+](=O)[O-])c(cc1[N+]1CCN(CC1)c1ccccc1)N.[Cl-]
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.135g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
348.831g/mol
Monoisotopic Mass:
348.135g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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