5-Amino-2-chloro-N-methylbenzamide - CAS 111362-49-3
Catalog: |
BB002755 |
Product Name: |
5-Amino-2-chloro-N-methylbenzamide |
CAS: |
111362-49-3 |
Synonyms: |
5-amino-2-chloro-N-methylbenzamide |
IUPAC Name: | 5-amino-2-chloro-N-methylbenzamide |
Description: | 5-Amino-2-chloro-N-methylbenzamide (CAS# 111362-49-3) is a useful research chemical. |
Molecular Weight: | 184.62 |
Molecular Formula: | C8H9ClN2O |
Canonical SMILES: | CNC(=O)C1=C(C=CC(=C1)N)Cl |
InChI: | InChI=1S/C8H9ClN2O/c1-11-8(12)6-4-5(10)2-3-7(6)9/h2-4H,10H2,1H3,(H,11,12) |
InChI Key: | WDZISULUDCXQAQ-UHFFFAOYSA-N |
Boiling Point: | 336.136 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.282 g/cm3 |
MDL: | MFCD09044637 |
LogP: | 2.25390 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020092621-A1 | Substituted 6-azabenzimidazole compounds as hpk1 inhibitors | 20181031 |
TW-202033522-A | Substituted 6-azabenzimidazole compounds | 20181031 |
US-2021115037-A1 | Substituted 6-azabenzimidazole compounds | 20181031 |
CN-113227089-A | Substituted 6-azabenzimidazole compounds as HPK1 inhibitors | 20181031 |
EP-3873903-A1 | Substituted 6-azabenzimidazole compounds as hpk1 inhibitors | 20181031 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.0403406 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.0403406 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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