1-Methyl-3-propylbenzene

Compound Structure:

Synonyms:

1-METHYL-3-PROPYLBENZENE; 3-Propyltoluene;m-Propyltoluene;Benzene, 1-methyl-3-propyl-;Toluene, m-propyl-;1-Methyl-3-n-propylbenzene;3-n-Propyltoluene; NSC-73974;3-Propyl-toluene

Compound ID:

NMPC-094

PubChem ID:

14092

Molecular Formula:

C10H14

Canonical SMILES:

CCCC1=CC=CC(=C1)C

InChIKey:

QUEBYVKXYIKVSO-UHFFFAOYSA-N

About the compound:

GHS Hazard Statements

• H411 (97.44%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	134.22 g/mol
XLogP3-AA	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	134.109550447 g/mol
Monoisotopic Mass	134.109550447 g/mol
Topological Polar Surface Area	0Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	86
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Liquid

Source: PubChem

Source Species:

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