Methyl 5-Amino-2-methylbenzoate - CAS 18595-12-5
Catalog: |
BB014256 |
Product Name: |
Methyl 5-Amino-2-methylbenzoate |
CAS: |
18595-12-5 |
Synonyms: |
5-amino-2-methylbenzoic acid methyl ester; methyl 5-amino-2-methylbenzoate |
IUPAC Name: | methyl 5-amino-2-methylbenzoate |
Description: | Methyl 5-Amino-2-methylbenzoate (CAS# 18595-12-5) is a useful research chemical. |
Molecular Weight: | 165.19 |
Molecular Formula: | C9H11NO2 |
Canonical SMILES: | CC1=C(C=C(C=C1)N)C(=O)OC |
InChI: | InChI=1S/C9H11NO2/c1-6-3-4-7(10)5-8(6)9(11)12-2/h3-5H,10H2,1-2H3 |
InChI Key: | JNPZKGOLYSCSEL-UHFFFAOYSA-N |
Boiling Point: | 348.8 °C at 760 mmHg |
LogP: | 1.94500 |
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-2021011724-A1 | Tricyclic heteroaryl compounds useful as irak4 inhibitors | 20190718 |
TW-202039436-A | Inhibitors of tgf-beta r1 (alk5) useful to treat cell proliferation disorders | 20181227 |
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 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.078978594 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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Amines and Anilines
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