3-(2,5-Dimethyl-1H-pyrrol-1-yl)aniline - CAS 247225-33-8
Catalog: |
BB018600 |
Product Name: |
3-(2,5-Dimethyl-1H-pyrrol-1-yl)aniline |
CAS: |
247225-33-8 |
Synonyms: |
3-(2,5-dimethylpyrrol-1-yl)aniline |
IUPAC Name: | 3-(2,5-dimethylpyrrol-1-yl)aniline |
Description: | 3-(2,5-Dimethyl-1H-pyrrol-1-yl)aniline (CAS# 247225-33-8) is a useful research chemical. |
Molecular Weight: | 186.25 |
Molecular Formula: | C12H14N2 |
Canonical SMILES: | CC1=CC=C(N1C2=CC(=CC=C2)N)C |
InChI: | InChI=1S/C12H14N2/c1-9-6-7-10(2)14(9)12-5-3-4-11(13)8-12/h3-8H,13H2,1-2H3 |
InChI Key: | PFZUTDHSWLXVSZ-UHFFFAOYSA-N |
Boiling Point: | 354 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.06 g/cm3 |
LogP: | 3.25750 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2015291521-A1 | Pyrrol-1-yl benzoic acid derivatives useful as myc inhibitors | 20121102 |
US-9567301-B2 | Pyrrol-1-yl benzoic acid derivatives useful as myc inhibitors | 20121102 |
US-2009176773-A1 | Non-Peptidic Inhibitors of AKAP/PKA Interaction | 20050518 |
US-2324056-A | Cracking inhibitor | 19410531 |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.115698455 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.115698455 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 31 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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Related Functional Groups
Pyrroles
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