iso-Butylamine
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CAS Number 78-81-9
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Catalog Number io-1883
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Classification Amines
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Molecular Weight 73.1400
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SMILES CC(C)CN
| Size | QTY | Notes | |
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2-methylpropanamine is an alkylamine having isobutyl as the alkyl group. It has been isolated from Sambucus nigra (Elderberry). It has a role as a plant metabolite. It is a conjugate base of a 2-methylpropanaminium.
| 1 | ISOBUTYLAMINE |
| 2 | 2-methylpropan-1-amine |
| 3 | 1-Amino-2-methylpropane |
| 4 | 2-Methylpropylamine |
| 5 | Monoisobutylamine |
| Molecular Formula | C4H11N |
|---|---|
| Canonical SMILES | CC(C)CN |
| Isomeric SMILES | CC(C)CN |
| Molecular Weight | 73.1400 |
| InChIKey | KDSNLYIMUZNERS-UHFFFAOYSA-N |
| InChI | InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3 |
| XLogP | 0.7000 |
| ExactMass | 73.0891 |
| MonoisotopicMass | 73.0891 |
| TPSA | 26.0000 |
| Complexity | 17.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 1 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 5 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 47993 |
| PatentFamilyCount | 17166 |
| LiteratureCount | 894 |
