Results for:
PubChem ID: 6558

2-methylpropan-1-amine

Mass-Spectra

Compound Details

Synonymous names
ISOBUTYLAMINE
78-81-9
2-methylpropan-1-amine
1-Amino-2-methylpropane
2-Methylpropylamine
Monoisobutylamine
Valamine
iso-Butylamine
1-Propanamine, 2-methyl-
2-Methylpropanamine
I-Butylamine
2-Methyl-1-propanamine
3-Methyl-2-propylamine
isobutyl amine
2-Methyl-1-Aminopropane
NSC 8028
iso-C4H9NH2
2-methyl-1-propylamine
MFCD00008146
1H60H4LOHZ
NSC-8028
Isobutylamine, 99%
CCRIS 6250
HSDB 612
EINECS 201-145-4
UN1214
UNII-1H60H4LOHZ
isobutyl-amine
iso-butyl amine
AI3-24039
Valamine?
N-iso-butylamine
iBuNH2
Isobutylamine, 8CI
2-methylpropyl amine
(2-methylpropyl)amine
i-BuNH2
2-methylpropane-1-amine
1-amino-2-methyl-propane
ISOBUTYLAMINE [MI]
ISOBUTYLAMINE [FHFI]
ISOBUTYLAMINE [HSDB]
2-Methyl-1-propanamine, 9CI
DTXSID9025459
FEMA NO. 4239
CHEBI:15997
WLN: Z1Y1&1
NSC8028
Isobutylamine, analytical standard
STR01259
AMINO-2-METHYL PROPANE, 1-
STL183318
AKOS000119607
MCULE-8319193456
UN 1214
Isobutylamine, purum, >=98.0% (GC)
DB-056335
I0095
NS00021357
EN300-20218
Isobutylamine [UN1214] [Flammable liquid]
C02787
Q416655
J-510080
F2190-0360
InChI=1/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H
Microorganism:

Yes

IUPAC name2-methylpropan-1-amine
SMILESCC(C)CN
InchiInChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3
FormulaC4H11N
PubChem ID6558
Molweight73.14
LogP0.7
Atoms5
Bonds1
H-bond Acceptor1
H-bond Donor1
Chemical Classificationamines nitrogen compounds
CHEBI-ID15997
Supernatural-IDSN0182840

mVOC Specific Details

Boiling Point
DegreeReference
68 °C peer reviewed
Volatilization
A pKa of 10.68(1) indicates isobutylamine will exist almost entirely in the cation form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(2). The potential for volatilization of isobutylamine from dry soil surfaces may exist(SRC) based upon a vapor pressure of 138 mm Hg(3).
Literature: (1) Perrin DD; Dissociation constants of organic bases in aqueous solution. IUPAC Chem Data Ser, Buttersworth, London (1965) (2) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis (1989)
Soil Adsorption
The Koc of isobutylamine is estimated as 60(SRC), using a log Kow of 0.73(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that isobutylamine is expected to have high mobility in soil. The pKa of isobutylamine is 10.68(4) indicating that this compound will exist almost entirely in the cation form in the environment and cations generally adsorb more strongly to soils containing organic carbon and clay 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. 10 (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: 23 (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
138 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Sp.antifungal activity against Fusarium solaniRhizosphere soil of avocadoGuevara-Avendaño et al. 2019
ProkaryotaProteus MirabilisNAMa et al. 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus Sp.LB agarSPME-GC-MSno
ProkaryotaProteus MirabilisLBno