2-Methyl-2-phenylpropanenitrile - CAS 1195-98-8
Catalog: |
BB004533 |
Product Name: |
2-Methyl-2-phenylpropanenitrile |
CAS: |
1195-98-8 |
Synonyms: |
2-methyl-2-phenylpropanenitrile; 2-methyl-2-phenylpropanenitrile |
IUPAC Name: | 2-methyl-2-phenylpropanenitrile |
Description: | 2-Methyl-2-phenylpropanenitrile (CAS# 1195-98-8) is a useful research chemical. |
Molecular Weight: | 145.20 |
Molecular Formula: | C10H11N |
Canonical SMILES: | CC(C)(C#N)C1=CC=CC=C1 |
InChI: | InChI=1S/C10H11N/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,1-2H3 |
InChI Key: | PGQTYXFMSZUGOW-UHFFFAOYSA-N |
Boiling Point: | 234.7 °C at 760 mmHg |
Density: | 0.971 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00099614 |
LogP: | 2.48778 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021200646-A1 | Fluorine-containing polymer particles and dispersion liquid including same | 20200331 |
WO-2021200647-A1 | Polymer particles | 20200331 |
WO-2020264176-A1 | Urea derivatives as cb1 allosteric modulators | 20190628 |
WO-2020155595-A1 | Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photocatalytic oxidation method therefor | 20190201 |
WO-2020105671-A1 | Fluorine-containing polymer particles | 20181122 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 145.089149355 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 145.089149355 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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