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138402-08-1 | 1H-Benzimidazole, 2-butyl-4,5,6,7-tetrahydro-
CAS No: 138402-08-1 Catalog No: AG0018Q8 MDL No:
Product Description
Catalog Number:
AG0018Q8
Chemical Name:
1H-Benzimidazole, 2-butyl-4,5,6,7-tetrahydro-
CAS Number:
138402-08-1
Molecular Formula:
C11H18N2
Molecular Weight:
178.2740
IUPAC Name:
2-butyl-4,5,6,7-tetrahydro-1H-benzimidazole
InChI:
InChI=1S/C11H18N2/c1-2-3-8-11-12-9-6-4-5-7-10(9)13-11/h2-8H2,1H3,(H,12,13)
InChI Key:
IXVFUAMUGPITMV-UHFFFAOYSA-N
SMILES:
CCCCc1nc2c([nH]1)CCCC2
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.147g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.279g/mol
Monoisotopic Mass:
178.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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