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78881-19-3 | 1H-Imidazole-1-pentanamine, 2-methyl-
CAS No: 78881-19-3 Catalog No: AG005OXG MDL No:
Product Description
Catalog Number:
AG005OXG
Chemical Name:
1H-Imidazole-1-pentanamine, 2-methyl-
CAS Number:
78881-19-3
Molecular Formula:
C9H17N3
Molecular Weight:
167.2514
IUPAC Name:
5-(2-methylimidazol-1-yl)pentan-1-amine
InChI:
InChI=1S/C9H17N3/c1-9-11-6-8-12(9)7-4-2-3-5-10/h6,8H,2-5,7,10H2,1H3
InChI Key:
HIRBFQJESFSLFB-UHFFFAOYSA-N
SMILES:
NCCCCCn1ccnc1C
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.142g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.256g/mol
Monoisotopic Mass:
167.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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