2-(Pyrrolidin-1-ylmethyl)aniline - CAS 55727-59-8
Catalog: |
BB029152 |
Product Name: |
2-(Pyrrolidin-1-ylmethyl)aniline |
CAS: |
55727-59-8 |
Synonyms: |
2-(pyrrolidin-1-ylmethyl)aniline |
IUPAC Name: | 2-(pyrrolidin-1-ylmethyl)aniline |
Description: | 2-(Pyrrolidin-1-ylmethyl)aniline (CAS# 55727-59-8) is a useful research chemical. |
Molecular Weight: | 176.26 |
Molecular Formula: | C11H16N2 |
Canonical SMILES: | C1CCN(C1)CC2=CC=CC=C2N |
InChI: | InChI=1S/C11H16N2/c12-11-6-2-1-5-10(11)9-13-7-3-4-8-13/h1-2,5-6H,3-4,7-9,12H2 |
InChI Key: | GWPIHNDIYNLVOT-UHFFFAOYSA-N |
Boiling Point: | 290.9 °C at 760 mmHg |
Density: | 1.099 g/cm3 |
Appearance: | Solid |
MDL: | MFCD01546257 |
LogP: | 2.38370 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3056202-A1 | Benzopyrrolidone derivatives possessing antiviral and anticancer properties | 20150216 |
WO-2016131789-A1 | Benzopyrrolidone derivatives possessing antiviral and anticancer properties | 20150216 |
CN-106414431-A | Dihydrothiazine and dihydrooxazine derivatives having BACE1 inhibitory activity | 20140411 |
CN-103415516-A | Bicyclic inhibitors of ALK | 20110121 |
CN-103025731-B | As the imidazoles that the 2-pyridyl of ALK5 and/or ALK4 inhibitor replaces | 20100629 |
Complexity: | 152 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.131348519 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.131348519 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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Related Functional Groups
Pyrrolidines
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