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14942-62-2 | 1,3-Propanediamine, N1,N3-bis(1H-pyrrol-2-ylmethylene)-
CAS No: 14942-62-2 Catalog No: AG001LP6 MDL No:
Product Description
Catalog Number:
AG001LP6
Chemical Name:
1,3-Propanediamine, N1,N3-bis(1H-pyrrol-2-ylmethylene)-
CAS Number:
14942-62-2
Molecular Formula:
C13H16N4
Molecular Weight:
228.2929
IUPAC Name:
1-(1H-pyrrol-2-yl)-N-[3-(1H-pyrrol-2-ylmethylideneamino)propyl]methanimine
InChI:
InChI=1S/C13H16N4/c1-4-12(16-8-1)10-14-6-3-7-15-11-13-5-2-9-17-13/h1-2,4-5,8-11,16-17H,3,6-7H2
InChI Key:
PBFQWNIOAMTZNN-UHFFFAOYSA-N
SMILES:
C(N=Cc1ccc[nH]1)CCN=Cc1ccc[nH]1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.299g/mol
Monoisotopic Mass:
228.137g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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