4-(Morpholinomethyl)benzonitrile - CAS 37812-51-4
Catalog: |
BB023432 |
Product Name: |
4-(Morpholinomethyl)benzonitrile |
CAS: |
37812-51-4 |
Synonyms: |
4-(4-morpholinylmethyl)benzonitrile; 4-(morpholin-4-ylmethyl)benzonitrile |
IUPAC Name: | 4-(morpholin-4-ylmethyl)benzonitrile |
Description: | 4-(Morpholinomethyl)benzonitrile (CAS# 37812-51-4) is a useful research chemical. |
Molecular Weight: | 202.25 |
Molecular Formula: | C12H14N2O |
Canonical SMILES: | C1COCCN1CC2=CC=C(C=C2)C#N |
InChI: | InChI=1S/C12H14N2O/c13-9-11-1-3-12(4-2-11)10-14-5-7-15-8-6-14/h1-4H,5-8,10H2 |
InChI Key: | BCZLYNFDOJXWGN-UHFFFAOYSA-N |
Boiling Point: | 332.4 ℃ at 760 mmHg |
Density: | 1.14 g/cm3 |
MDL: | MFCD13857369 |
LogP: | 1.32838 |
Publication Number | Title | Priority Date |
AU-2018326497-A1 | Spirocycle compounds and methods of making and using same | 20170829 |
CA-3072926-A1 | Spirocycle compounds and methods of making and using same | 20170829 |
CN-111032034-A | Spiro compounds and methods of making and using the same | 20170829 |
KR-20200046053-A | Spirocycle compounds and methods of making and using them | 20170829 |
WO-2019046330-A1 | SPIROCYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF | 20170829 |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.110613074 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.110613074 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 36.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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