CAS 50995-95-4 | 2-Propylimidazole | CAS Number 50995-95-4

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50995-95-4 | 2-Propylimidazole

CAS No: 50995-95-4 Catalog No: AG003HWU MDL No:MFCD00059158

Product Description

Catalog Number:

AG003HWU

Chemical Name:

2-Propylimidazole

CAS Number:

50995-95-4

Molecular Formula:

C6H10N2

Molecular Weight:

110.1570

MDL Number:

MFCD00059158

IUPAC Name:

2-propyl-1H-imidazole

InChI:

InChI=1S/C6H10N2/c1-2-3-6-7-4-5-8-6/h4-5H,2-3H2,1H3,(H,7,8)

InChI Key:

MKBBSFGKFMQPPC-UHFFFAOYSA-N

SMILES:

CCCc1ncc[nH]1

EC Number:

256-902-1

Properties

Complexity:

63.5

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

110.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

110.16g/mol

Monoisotopic Mass:

110.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

28.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
Bis(2-propyl-1H-imidazol-3-ium) bis-(pyridine-2,6-dicarboxyl-ato-κO,N,O)cadmate(II).	Acta crystallographica. Section E, Structure reports online 20110701
Functions of the D-ribosyl moiety and the lower axial ligand of the nucleotide loop of coenzyme B(12) in diol dehydratase and ethanolamine ammonia-lyase reactions.	Journal of biochemistry 20021201