Methyl 2,3-diaminobenzoate - CAS 107582-20-7
Catalog: |
BB002107 |
Product Name: |
Methyl 2,3-diaminobenzoate |
CAS: |
107582-20-7 |
Synonyms: |
2,3-diaminobenzoic acid methyl ester; methyl 2,3-diaminobenzoate |
IUPAC Name: | methyl 2,3-diaminobenzoate |
Description: | Methyl 2,3-diaminobenzoate (CAS# 107582-20-7) is a useful research chemical. |
Molecular Weight: | 166.18 |
Molecular Formula: | C8H10N2O2 |
Canonical SMILES: | COC(=O)C1=C(C(=CC=C1)N)N |
InChI: | InChI=1S/C8H10N2O2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,9-10H2,1H3 |
InChI Key: | BLJHLOLVEXWHFS-UHFFFAOYSA-N |
Boiling Point: | 322.6 ℃ at 760 mmHg |
Purity: | 98 % |
Density: | 1.26 g/cm3 |
Appearance: | Yellow solid |
MDL: | MFCD04038589 |
LogP: | 1.80000 |
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-2021105334-A1 | Piperidine-2, 6-dione derivatives which bind to cereblon, and methods of use thereof | 20191127 |
WO-2020260514-A1 | Bis(2-haloacetamido)-compounds for use as linking agents and resultant products which comprise antibodies, half-antibodies and antibody fragments | 20190625 |
TW-202100526-A | Pyrrolopyrazole derivatives | 20190306 |
WO-2020033784-A1 | Transglutaminase 2 (tg2) inhibitors | 20180810 |
TW-202023553-A | Transglutaminase 2 (tg2) inhibitors | 20180810 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.074227566 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 78.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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