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14942-63-3 | 1,4-Butanediamine, N1,N4-bis(1H-pyrrol-2-ylmethylene)-
CAS No: 14942-63-3 Catalog No: AG001LP5 MDL No:
Product Description
Catalog Number:
AG001LP5
Chemical Name:
1,4-Butanediamine, N1,N4-bis(1H-pyrrol-2-ylmethylene)-
CAS Number:
14942-63-3
Molecular Formula:
C14H18N4
Molecular Weight:
242.3195
IUPAC Name:
1-(1H-pyrrol-2-yl)-N-[4-(1H-pyrrol-2-ylmethylideneamino)butyl]methanimine
InChI:
InChI=1S/C14H18N4/c1(7-15-11-13-5-3-9-17-13)2-8-16-12-14-6-4-10-18-14/h3-6,9-12,17-18H,1-2,7-8H2
InChI Key:
HQCVPLFPWAIRQF-UHFFFAOYSA-N
SMILES:
C(N=Cc1ccc[nH]1)CCCN=Cc1ccc[nH]1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.153g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.326g/mol
Monoisotopic Mass:
242.153g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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