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1282711-31-2 | N*1*-Methyl-N*1*-(4-nitro-benzyl)-ethane-1,2-diamine
CAS No: 1282711-31-2 Catalog No: AG01F8G2 MDL No:
Product Description
Catalog Number:
AG01F8G2
Chemical Name:
N*1*-Methyl-N*1*-(4-nitro-benzyl)-ethane-1,2-diamine
CAS Number:
1282711-31-2
Molecular Formula:
C10H15N3O2
Molecular Weight:
209.2450
IUPAC Name:
N'-methyl-N'-[(4-nitrophenyl)methyl]ethane-1,2-diamine
InChI:
InChI=1S/C10H15N3O2/c1-12(7-6-11)8-9-2-4-10(5-3-9)13(14)15/h2-5H,6-8,11H2,1H3
InChI Key:
HWRLSVUQBCNZRM-UHFFFAOYSA-N
SMILES:
NCCN(Cc1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.249g/mol
Monoisotopic Mass:
209.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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