2-(Methylamino)benzonitrile - CAS 17583-40-3
Catalog: |
BB013169 |
Product Name: |
2-(Methylamino)benzonitrile |
CAS: |
17583-40-3 |
Synonyms: |
2-(methylamino)benzonitrile; 2-(methylamino)benzonitrile |
IUPAC Name: | 2-(methylamino)benzonitrile |
Description: | 2-(Methylamino)benzonitrile (CAS# 17583-40-3) is a useful research chemical. |
Molecular Weight: | 132.16 |
Molecular Formula: | C8H8N2 |
Canonical SMILES: | CNC1=CC=CC=C1C#N |
InChI: | InChI=1S/C8H8N2/c1-10-8-5-3-2-4-7(8)6-9/h2-5,10H,1H3 |
InChI Key: | SHIBMGQAICRHTE-UHFFFAOYSA-N |
Boiling Point: | 277.6 °C at 760 mmHg |
Density: | 1.06 g/cm3 |
LogP: | 1.67298 |
Publication Number | Title | Priority Date |
WO-2021130638-A1 | Diacylglycerol kinase modulating compounds | 20191224 |
WO-2020156357-A1 | Compound having benzo seven-membered ring structure, preparation method therefor, and use thereof | 20190202 |
WO-2020023355-A1 | Inhibitors of indoleamine 2,3-dioxygenase and methods of their use | 20180723 |
CN-108291026-A | With intrinsic micro porous TROGER alkali polymer | 20151124 |
DE-112016005378-T5 | TRÃ-GERSCHE BASE POLYMERS WITH INTRINSIC MICROPOROSITY | 20151124 |
Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 132.068748264 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 132.068748264 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 35.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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