Isopropylamine
PubChem CID: 6363
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| Compound Synonyms | ISOPROPYLAMINE, propan-2-amine, 75-31-0, 2-Propanamine, 2-Aminopropane, Monoisopropylamine, 2-Propylamine, sec-Propylamine, 1-Methylethylamine, isopropyl amine, Propane, 2-amino-, Isopropilamina, 2-Aminopropan, 2-Amino-propaan, 2-Amino-propano, 2-Propaneamine, NSC 62775, CCRIS 4318, HSDB 804, iso-propylamine, UNII-P8W26T4MTD, EINECS 200-860-9, P8W26T4MTD, MFCD00008082, CHEBI:15739, AI3-15636, NSC-62775, DTXSID2025682, FEMA NO. 4238, EC 200-860-9, 2-Propan-1,1,1,2,3,3,3-d7-amine, Isopropilamina [Italian], 2-Propanamine, 2-Aminopropane, , Isopropylamin, 2-Aminopropan [German], 2-propylamin, 2-Amino-propaan [Dutch], 2-Amino-propano [Italian], UN1221, isopropylarnine, isoproylamine, i-propylamine, isopropyl-amine, i-propyl amine, iso- propylamine, iso-propyl amine, propane-2-amine, 2-propyl amine, propan-2 -amine, propane, 2-amino, iso-Propylamine gas, iPrNH2, (1-methylethyl)amine, i-PrNH2, Isopropylamine, 97%, Isopropylamine, 99%, iso-C3H7NH2, 2-AMINO-PROPANE, ISOPROPYLAMINE [MI], ISOPROPYLAMINE [FHFI], ISOPROPYLAMINE [HSDB], Isopropylamine, >=99.5%, CHEMBL117080, DTXCID905682, WLN: ZY1&1, Isopropylamine, >=97.0% (GC), NSC62775, STR00028, STL194288, AKOS000119321, UN 1221, I0165, NS00002224, EN300-18989, Isopropylamine, anhydrous, analytical standard, Isopropylamine, SAJ special grade, >=99.0%, C06748, Isopropylamine [UN1221] [Flammable liquid], A838376, Q420554, InChI=1/C3H9N/c1-3(2)4/h3H,4H2,1-2H, Isopropylamine (purified by distillation from glass), F2190-0359, 200-860-9, G4O |
|---|---|
| Topological Polar Surface Area | 26.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 4.0 |
| Description | Isopropylamine, also known as 2-aminopropane or 2-propanamine, is a member of the class of compounds known as monoalkylamines. Monoalkylamines are organic compounds containing an primary aliphatic amine group. Isopropylamine is soluble (in water) and a very strong basic compound (based on its pKa). Isopropylamine is an ammoniacal and fishy tasting compound found in corn and soy bean, which makes isopropylamine a potential biomarker for the consumption of these food products. Isopropylamine (monoisopropyl amine, MIPA, 2-Propylamine) is an organic compound, an amine. It is a hygroscopic colorless liquid with ammonia-like odor. It is miscible with water and flammable. It is a valuable intermediate in chemical industry . |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 10.8 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | propan-2-amine |
| Prediction Hob | 1.0 |
| Xlogp | 0.1 |
| Molecular Formula | C3H9N |
| Prediction Swissadme | 0.0 |
| Inchi Key | JJWLVOIRVHMVIS-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 0.0 |
| State | liquid |
| Synonyms | 1-Methylethylamine, 2-Amino-propaan, 2-AMINO-PROPANE, 2-Amino-propano, 2-Aminopropan, 2-Aminopropan (GERMAN), 2-Aminopropane, 2-Propanamine, 2-Propaneamine, 2-Propylamine, iso-C3H7NH2, Iso-propylamine gas, Isopropilamina, Isopropylamine [UN1221] [Flammable liquid], Monoisopropylamine, Propan-2-amine, Propanal, 2-amino-, Propane, 2-amino-, Propylamine mono, Sec-propylamine |
| Compound Name | Isopropylamine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 59.0735 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 59.0735 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 59.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.26319439999999994 |
| Inchi | InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3 |
| Smiles | CC(C)N |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Chrysanthemum Sinense (Plant) Rel Props:Reference: - 3. Outgoing r'ship
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FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Ligusticum Lucidum (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Ligusticum Sinense (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Ligustrum Lucidum (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Ligustrum Sinense (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Limonium Sinense (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Onychium Lucidum (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Stenostomum Lucidum (Plant) Rel Props:Reference: - 12. Outgoing r'ship
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FOUND_INto/from Trachelospermum Lucidum (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all