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714568-34-0 | Benzeneethanamine, 4-(4,5-dihydro-1H-imidazol-2-yl)-
CAS No: 714568-34-0 Catalog No: AG005HSD MDL No:
Product Description
Catalog Number:
AG005HSD
Chemical Name:
Benzeneethanamine, 4-(4,5-dihydro-1H-imidazol-2-yl)-
CAS Number:
714568-34-0
Molecular Formula:
C11H15N3
Molecular Weight:
189.2569
IUPAC Name:
2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethanamine
InChI:
InChI=1S/C11H15N3/c12-6-5-9-1-3-10(4-2-9)11-13-7-8-14-11/h1-4H,5-8,12H2,(H,13,14)
InChI Key:
IQBPJBHUYHKLNN-UHFFFAOYSA-N
SMILES:
NCCc1ccc(cc1)C1=NCCN1
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.127g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.262g/mol
Monoisotopic Mass:
189.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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