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Details of Propane, n-

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Role	Analyte
name	Propane, n-
MPIMP ID	A000419
isotopomer	ambient
formula	C3H8
molecular mass	44.096
monoisotopic mass	44.06260
InChI	InChI=1S/C3H8/c1-3-2/h3H2,1-2H3
InChIKey	ATUOYWHBWRKTHZ-UHFFFAOYSA-N
substructure TMS	0
substructure TBS	0
substructure H3ON	0
substructure CH3O	0
retention index (VAR5 method, n-alkanes C10–C36)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2716429c26-fb24-4d1d-a4d9-959b6c85db1c%27)

Synonyms of Propane, n-

property	value
CAS	74-98-6
ChEBI ID	CHEBI:32879
ChEBI ontology	is a alkane
ChemSpider ID	6094
synonym	CH3-CH2-CH3
synonym	n-Propane
synonym	Propan
synonym	propane
8 synonym(s)

Metabolite mapped to Propane, n-

metabolite	stereoisomer	isotopomer
Propane	n-	ambient
1 metabolite(s)

Reference spectra of Propane, n-

replica	entry date	detection	method	species
1	5/12/2005 12:00:00 AM		M[NIST]
1 spectrum(a)

compound timestamp information
deposited	at 7/16/2007 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed	at 10/1/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Hummel J.

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