2-Chloro-3-methylaniline - CAS 29027-17-6
Catalog: |
BB020050 |
Product Name: |
2-Chloro-3-methylaniline |
CAS: |
29027-17-6 |
Synonyms: |
2-chloro-3-methylaniline; 2-chloro-3-methylaniline |
IUPAC Name: | 2-chloro-3-methylaniline |
Description: | 2-Chloro-3-methylaniline (CAS# 29027-17-6) is a useful research chemical. |
Molecular Weight: | 141.60 |
Molecular Formula: | C7H8ClN |
Canonical SMILES: | CC1=C(C(=CC=C1)N)Cl |
InChI: | InChI=1S/C7H8ClN/c1-5-3-2-4-6(9)7(5)8/h2-4H,9H2,1H3 |
InChI Key: | RQRKMXABSUYQBV-UHFFFAOYSA-N |
Appearance: | Liquid |
LogP: | 2.81180 |
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 |
WO-2021043116-A1 | Biphenyl compounds, preparation method therefor and medical use thereof | 20190902 |
WO-2020216773-A1 | 4h-pyrrolo[3,2-c]pyridin-4-one compounds | 20190424 |
WO-2020063760-A1 | Novel heterocyclic derivatives useful as shp2 inhibitors | 20180926 |
US-2020048249-A1 | Ptpn11 inhibitors | 20180810 |
WO-2020033828-A1 | 6-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4(3h)-one derivatives and related compounds as ptpn11 (shp2) inhibitors for treating cancer | 20180810 |
Complexity: | 94.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.0345270 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.0345270 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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Amines and Anilines
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