Results for:
PubChem ID: 10285

4-methylquinoline

Mass-Spectra

Compound Details

Synonymous names
Lepidine
4-METHYLQUINOLINE
491-35-0
Quinoline, 4-methyl-
Cincholepidine
Lepidin
p-Methylquinoline
4-Lepidine
4-methyl-quinoline
gamma-Methylquinoline
CCRIS 2894
HSDB 7153
NSC 3412
MFCD00006784
AI3-24277
.gamma.-Methylquinoline
DTXSID7047067
CHEBI:48983
NSC-3412
116169T3O8
4-methyl quinoline
EINECS 207-734-2
BRN 0110926
Lepidine (4-Methylquinoline)
UNII-116169T3O8
Lepidine, 99%
methyl-4 isoquinoleine
LEPIDINE [MI]
CHEMBL9734
SCHEMBL31559
4-Methylquinoline, >=99%
5-20-07-00389 (Beilstein Handbook Reference)
DTXCID5027067
NSC3412
AMY13842
BCP27150
STR06140
Tox21_301829
AKOS000119150
MCULE-8999201921
PS-3771
NCGC00184238-01
NCGC00184238-02
NCGC00184238-03
NCGC00184238-04
NCGC00184238-05
NCGC00184238-06
NCGC00184238-07
NCGC00184238-08
NCGC00184238-09
NCGC00184238-10
NCGC00256086-01
CAS-491-35-0
DB-013319
L0024
NS00012990
EN300-19081
A22510
H10212
J-515822
Q6527408
F0001-1281
Z104472668
InChI=1/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H
Microorganism:

Yes

IUPAC name4-methylquinoline
SMILESCC1=CC=NC2=CC=CC=C12
InchiInChI=1S/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H3
FormulaC10H9N
PubChem ID10285
Molweight143.18
LogP2.6
Atoms11
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids nitrogen compounds quinolines aromatic compounds
CHEBI-ID48983
Supernatural-IDSN0235434

mVOC Specific Details

Boiling Point
DegreeReference
261-263 deg CO'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 973
Volatilization
The Henry's Law constant for 4-methylquinoline is estimated as 7.6X10-7 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 4-methylquinoline is expected to be essentially nonvolatile from water surfaces(2). 4-Methylquinoline is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 6.4X10-3 mm Hg(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Walton J; Eng Sci Data Item 77019, p. 29 (1977)
Solubility
Slightly soluble in water
Literature: Lide, DR (ed.). CRC Handbook of Chemistry and Physics. 81st Edition. CRC Press LLC, Boca Raton: FL 2000, p. 3-308
Literature: #Soluble in ethanol, ether, and acetone.
Literature: Lide, DR (ed.). CRC Handbook of Chemistry and Physics. 81st Edition. CRC Press LLC, Boca Raton: FL 2000, p. 3-308
Literature: #Miscible with alcohol and benzene
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 973
Literature: #Soluble in mineral acid; insoluble in alkali
Literature: Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V5 4875
Literature: #In water, 783 mg/liter @ 25 deg C
Literature: Meylan WM et al; Environ Toxicol Chem 15: 100-106 (1996)
Soil Adsorption
The Koc of 4-methylquinoline is estimated as 630(SRC), using a log Kow of 2.61(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 4-methylquinoline is expected to have low mobility in soil(SRC). The pKa of 4-methylquinoline is 5.67(4), indicating that this compound will partially exist in cation form in the environment and cations generally adsorb to organic carbon and clay more strongly than their neutral counterparts(5).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 68 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Perrin DD; Dissociation constants of organic bases in aqueous solution. IUPAC Chem Data Ser, Buttersworth, London (1965) (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)
Vapor Pressure
PressureReference
6.4X10-3 mm Hg @ 20 deg C /Extrapolated/Walton J; Eng Sci Data Item 77019, p. 29 (1977)
Massbank-Links

Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEscherichia ColiLBTD/GC-MSno
ProkaryotaMyxococcus Xanthusn/an/ano
ProkaryotaStreptomyces Caviscabiesn/an/ano
ProkaryotaStreptomyces Sp.n/an/ano
ProkaryotaStigmatella Aurantiacan/an/ano
ProkaryotaMyxobacterium Sp.n/an/ano
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno