N-Ethylisopropylamine - CAS 19961-27-4
Catalog: |
BB015411 |
Product Name: |
N-Ethylisopropylamine |
CAS: |
19961-27-4 |
Synonyms: |
N-ethylpropan-2-amine |
IUPAC Name: | N-ethylpropan-2-amine |
Description: | N-Ethylisopropylamine (CAS# 19961-27-4) is a building block used for the preparation of various pharmaceutical compounds. It is also used for the synthesis of water-soluble β-cyclodextrin based polymers. |
Molecular Weight: | 87.16 |
Molecular Formula: | C5H13N |
Canonical SMILES: | CCNC(C)C |
InChI: | InChI=1S/C5H13N/c1-4-6-5(2)3/h5-6H,4H2,1-3H3 |
InChI Key: | RIVIDPPYRINTTH-UHFFFAOYSA-N |
Boiling Point: | 71-73 °C (lit.) |
Density: | 0.72 g/mL at 25 °C(lit.) |
Appearance: | Clear light yellow liquid |
MDL: | MFCD00015105 |
LogP: | 1.39520 |
GHS Hazard Statement: | H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021119081-A1 | Hepatitis b capsid assembly modulators | 20191210 |
WO-2021038490-A1 | Substituted urea dihydroorotate dehydrogenase inhibitors | 20190829 |
WO-2021023813-A1 | 5-heteroaryl-pyridin-2-amine confounds as neuropeptide ff receptor antagonists | 20190806 |
WO-2020242943-A1 | Gpr40 agonists | 20190529 |
AU-2018369787-A1 | Immunoproteasome inhibitors | 20171116 |
PMID | Publication Date | Title | Journal |
20617125 | 20100627 | Extension of the PNA world by functionalized PNA monomers eligible candidates for inverse Diels Alder Click Chemistry | International journal of medical sciences |
15271506 | 20040801 | N-benzoyl-N'-alkylthioureas and their complexes with Ni(II), Co(III) and Pt(II) - crystal structure of 3-benzoyl-1-butyl-1-methyl-thiourea: activity against fungi and yeast | Journal of inorganic biochemistry |
5220237 | 19660420 | Structure-activity studies leading to ethambutol, a new type of antituberculous compound | Annals of the New York Academy of Sciences |
Complexity: | 25.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 87.104799419 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 87.104799419 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 12 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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