2-Propylimidazole - CAS 50995-95-4

Catalog:	BB027285
Product Name:	2-Propylimidazole
CAS:	50995-95-4
Synonyms:	2-propyl-1H-imidazole; 2-propyl-1H-imidazole

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Computed Properties

IUPAC Name:	2-propyl-1H-imidazole
Description:	2-Propylimidazole (CAS# 50995-95-4) is a useful research chemical.
Molecular Weight:	110.16
Molecular Formula:	C6H10N2
Canonical SMILES:	CCCC1=NC=CN1
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
Boiling Point:	152 °C (15 torr)
Density:	0.998 g/cm³
MDL:	MFCD00059158
LogP:	1.36220

Publication Number	Title	Priority Date
CN-113369490-A	Preparation method of hollow spherical silver powder	20210527
CN-112979923-A	Tri-functionality epoxy compound containing triazine ring and preparation method thereof	20210421
CN-112979568-A	Tri-functionality phenolic compound containing triazine ring and hyperbranched epoxy resin	20210419
CN-112979568-B	Tri-functionality phenolic compound containing triazine ring and hyperbranched epoxy resin	20210419
CN-113087740-A	Preparation method and application of organic tin ionic liquid catalyst	20210409

PMID	Publication Date	Title	Journal
21836832	20110701	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
12473196	20021201	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

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GHS Hazard Statement:	H302 (82.38%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	63.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	110.084398327
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	110.084398327
Rotatable Bond Count:	2
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3