3-(Ethylamino)propionitrile - CAS 21539-47-9
Catalog: |
BB016947 |
Product Name: |
3-(Ethylamino)propionitrile |
CAS: |
21539-47-9 |
Synonyms: |
3-(ethylamino)propanenitrile |
IUPAC Name: | 3-(ethylamino)propanenitrile |
Description: | 3-(Ethylamino)propionitrile (CAS# 21539-47-9) is a reactant used in the preparation of heteroaryl-substituted bis-trifluoromethyl carbinols and trifluoroacetophenone derivatives malonyl-CoA decarboxylase (MCD) inhibitors. |
Molecular Weight: | 98.15 |
Molecular Formula: | C5H10N2 |
Canonical SMILES: | CCNCCC#N |
InChI: | InChI=1S/C5H10N2/c1-2-7-5-3-4-6/h7H,2-3,5H2,1H3 |
InChI Key: | RUVUQOOKKGVDNN-UHFFFAOYSA-N |
Boiling Point: | 190 ℃ |
Purity: | 95 % |
Density: | 0.883 g/cm3 |
Appearance: | Colourless or little yellow liquid |
MDL: | MFCD00087227 |
LogP: | 0.90048 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112786969-A | Lithium battery structure and pole layer structure thereof | 20191108 |
CN-112701346-A | Solid electrolyte contact surface conditioning material and mixed electrolyte system thereof | 20191022 |
CN-112787040-A | Ceramic barrier layer | 20191022 |
WO-2021057853-A1 | Aza-quinoline compounds and uses thereof | 20190926 |
WO-2019218957-A1 | Compound as protease activated receptor 4 (par4) inhibitor for treating platelet aggregation | 20180516 |
Complexity: | 69.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 98.084398327 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 98.084398327 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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