Isobutylamine
PubChem CID: 6558
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| Compound Synonyms | 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, CCRIS 6250, HSDB 612, iso-C4H9NH2, EINECS 201-145-4, 1H60H4LOHZ, UN1214, AI3-24039, 2-methyl-1-propylamine, NSC-8028, MFCD00008146, ISOBUTYLAMINE [MI], ISOBUTYLAMINE [FHFI], ISOBUTYLAMINE [HSDB], DTXSID9025459, FEMA NO. 4239, CHEBI:15997, AMINO-2-METHYL PROPANE, 1-, Isobutylamine, 99%, propane, 1-amino-2-methyl-, UNII-1H60H4LOHZ, ibutylamine, isobutyl-amine, iso-butyl amine, Valamine?, N-iso-butylamine, 2methylpropylamine, 2Methyl1propanamine, 3Methyl2propylamine, 1Amino2methylpropane, iBuNH2, Isobutylamine, 8CI, 2-methylpropyl amine, (2-methylpropyl)amine, i-BuNH2, 1Propanamine, 2methyl, 2-methylpropane-1-amine, 1-amino-2-methyl-propane, 2-Methyl-1-propanamine, 9CI, DTXCID405459, WLN: Z1Y1&1, NSC8028, Isobutylamine, analytical standard, STR01259, STL183318, AKOS000119607, UN 1214, Isobutylamine, purum, >=98.0% (GC), DB-056335, I0095, NS00021357, EN300-20218, Isobutylamine [UN1214] [Flammable liquid], C02787, Q416655, F2190-0360, 201-145-4 |
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| Topological Polar Surface Area | 26.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 5.0 |
| Description | Found in various foodstuffs |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 17.6 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylpropan-1-amine |
| Nih Violation | False |
| Class | Amines |
| Xlogp | 0.7 |
| Superclass | Organonitrogen compounds |
| Is Pains | False |
| Subclass | Primary amines |
| Molecular Formula | C4H11N |
| Inchi Key | KDSNLYIMUZNERS-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| State | Liquid |
| Synonyms | 1-Amino-2-methylpropane, 1-Propanamine, 2-methyl-, 2-Methyl-1-Aminopropane, 2-Methyl-1-propanamine, 2-Methyl-1-propanamine, 9CI, 2-methylpropan-1-amine, 2-Methylpropanamine, 2-Methylpropylamine, 3-Methyl-2-propylamine, I-butylamine, Iso-butylamine, Iso-C4H9NH2, Isobutylamine, Isobutylamine, 8CI, Monoisobutylamine, Valamine, Valamine?, 2-Methyl-1-aminopropane, IBA, 2-Methylpropan-1-amine, 2-Methyl-1-propanamine, 9ci, Isobutylamine, 8ci, Isobutylamine hydrochloride |
| Substituent Name | Hydrocarbon derivative, Primary aliphatic amine, Aliphatic acyclic compound |
| Compound Name | Isobutylamine |
| Kingdom | Organic compounds |
| Exact Mass | 73.0891 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 73.0891 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 73.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3 |
| Smiles | CC(C)CN |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Monoalkylamines |
- 1. Outgoing r'ship
FOUND_INto/from Sambucus Nigra (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:fooddb_chem_all