Home Other Building Blocks 1-N-[3-(1H-imidazol-1-yl)propyl]benzene-1,2-diamine

1-N-[3-(1H-imidazol-1-yl)propyl]benzene-1,2-diamine

CAS No.:
262357-39-1
Catalog Number:
AG01AANR
Molecular Formula:
C12H16N4
Molecular Weight:
216.2822
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Product Description
Catalog Number:
AG01AANR
Chemical Name:
1-N-[3-(1H-imidazol-1-yl)propyl]benzene-1,2-diamine
CAS Number:
262357-39-1
Molecular Formula:
C12H16N4
Molecular Weight:
216.2822
MDL Number:
MFCD11196009
IUPAC Name:
2-N-(3-imidazol-1-ylpropyl)benzene-1,2-diamine
InChI:
InChI=1S/C12H16N4/c13-11-4-1-2-5-12(11)15-6-3-8-16-9-7-14-10-16/h1-2,4-5,7,9-10,15H,3,6,8,13H2
InChI Key:
KJCGISCAQCJRLA-UHFFFAOYSA-N
SMILES:
Nc1ccccc1NCCCn1cncc1
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.137g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
216.288g/mol
Monoisotopic Mass:
216.137g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties