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Home > Nitro Compounds > 1240573-25-4
1240573-25-4 | 2-methyl-1-[(3-nitrophenyl)methyl]piperazine
CAS No: 1240573-25-4 Catalog No: AG00JVBW MDL No:MFCD16811318
Product Description
Catalog Number:
AG00JVBW
Chemical Name:
2-methyl-1-[(3-nitrophenyl)methyl]piperazine
CAS Number:
1240573-25-4
Molecular Formula:
C12H17N3O2
Molecular Weight:
235.2823
MDL Number:
MFCD16811318
IUPAC Name:
2-methyl-1-[(3-nitrophenyl)methyl]piperazine
InChI:
InChI=1S/C12H17N3O2/c1-10-8-13-5-6-14(10)9-11-3-2-4-12(7-11)15(16)17/h2-4,7,10,13H,5-6,8-9H2,1H3
InChI Key:
ZVHBQJJVMVFXRM-UHFFFAOYSA-N
SMILES:
CC1CNCCN1Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.287g/mol
Monoisotopic Mass:
235.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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