3-(2-Aminoethyl)benzonitrile - CAS 219919-49-0
Catalog: |
BB017250 |
Product Name: |
3-(2-Aminoethyl)benzonitrile |
CAS: |
219919-49-0 |
Synonyms: |
3-(2-aminoethyl)benzonitrile; 3-(2-aminoethyl)benzonitrile |
IUPAC Name: | 3-(2-aminoethyl)benzonitrile |
Description: | 3-(2-Aminoethyl)benzonitrile (CAS# 219919-49-0) is a useful research chemical. |
Molecular Weight: | 146.19 |
Molecular Formula: | C9H10N2 |
Canonical SMILES: | C1=CC(=CC(=C1)CCN)C#N |
InChI: | InChI=1S/C9H10N2/c10-5-4-8-2-1-3-9(6-8)7-11/h1-3,6H,4-5,10H2 |
InChI Key: | JSHAWLCRADHRGW-UHFFFAOYSA-N |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P310, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2016304496-A1 | Indazolones as modulators of tnf signaling | 20150417 |
US-2018086737-A1 | Indazolones as modulators of tnf signaling | 20150417 |
US-2016096806-A1 | 2-Aminoquinoline-Based Compounds for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition | 20140110 |
US-2016368877-A1 | 2-Aminoquinoline-Based Compounds for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition | 20140110 |
US-9663468-B2 | 2-aminoquinoline-based compounds for potent and selective neuronal nitric oxide synthase inhibition | 20140110 |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.084398327 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.084398327 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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Related Functional Groups
Amines and Anilines
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