trans-3-(Dimethylamino)acrylonitrile - CAS 35520-41-3
Catalog: |
BB022665 |
Product Name: |
trans-3-(Dimethylamino)acrylonitrile |
CAS: |
35520-41-3 |
Synonyms: |
(E)-3-(dimethylamino)prop-2-enenitrile |
IUPAC Name: | (E)-3-(dimethylamino)prop-2-enenitrile |
Description: | trans-3-(Dimethylamino)acrylonitrile (CAS# 35520-41-3 ) is a useful research chemical. |
Molecular Weight: | 96.13 |
Molecular Formula: | C5H8N2 |
Canonical SMILES: | CN(C)C=CC#N |
InChI: | InChI=1S/C5H8N2/c1-7(2)5-3-4-6/h3,5H,1-2H3/b5-3+ |
InChI Key: | ZKKBIZXAEDFPNL-HWKANZROSA-N |
Boiling Point: | 76-80 °C / 0.3 mmHg (lit.) |
Density: | 0.947 g/mL at 20 °C(lit.) |
Appearance: | Yellow to orange to brown liquid |
MDL: | MFCD00001929 |
LogP: | 0.58528 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P310, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112047842-A | 1, 4-diene compound and preparation method and application thereof | 20200914 |
CN-110845409-A | Method for synthesizing neratinib intermediate | 20191206 |
CN-110845426-A | Preparation method of 2-chloro-5-cyanopyrimidine compound | 20191129 |
WO-2020161162-A1 | Herbicidal pyridinium compounds | 20190206 |
TW-202045006-A | Herbicidal compounds | 20190206 |
Complexity: | 105 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 96.068748264 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 96.068748264 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 27 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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