4-(Dimethylamino)butyronitrile - CAS 13989-82-7
Catalog: |
BB008995 |
Product Name: |
4-(Dimethylamino)butyronitrile |
CAS: |
13989-82-7 |
Synonyms: |
4-(dimethylamino)butanenitrile; 4-(dimethylamino)butanenitrile |
IUPAC Name: | 4-(dimethylamino)butanenitrile |
Description: | 4-(Dimethylamino)butyronitrile (CAS# 13989-82-7) is a useful research chemical. |
Molecular Weight: | 112.17 |
Molecular Formula: | C6H12N2 |
Canonical SMILES: | CN(C)CCCC#N |
InChI: | InChI=1S/C6H12N2/c1-8(2)6-4-3-5-7/h3-4,6H2,1-2H3 |
InChI Key: | HCLFLZTVKYHLCF-UHFFFAOYSA-N |
Boiling Point: | 181.5 ℃ at 760 mmHg |
Density: | 0.874 g/cm3 |
Appearance: | Liquid clear |
MDL: | MFCD00019892 |
LogP: | 0.85178 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021121715-A1 | Method for dyeing keratinous material, comprising the use of an organosilicon compound, a hydroxycarboxylic acid ester, a colouring compound and a post-treatment agent | 20191216 |
WO-2017089390-A1 | Janus kinases inhibitors, compositions thereof and use thereof | 20151123 |
CA-2961570-A1 | Benzyl substituted indazoles | 20140919 |
CN-107148420-A | The indazole compounds of benzyl substitution | 20140919 |
EP-3194378-A1 | Benzyl substituted indazoles | 20140919 |
Complexity: | 87.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 112.100048391 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 112.100048391 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 27 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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