Ethyl 3-amino-4-(isopropylamino)benzoate - CAS 1187570-89-3
Catalog: |
BB065912 |
Product Name: |
Ethyl 3-amino-4-(isopropylamino)benzoate |
CAS: |
1187570-89-3 |
Synonyms: |
Ethyl 3-Amino-4-[(1-methylethyl)amino]benzoic Acid Ester |
IUPAC Name: | ethyl 3-amino-4-(propan-2-ylamino)benzoate |
Description: | Ethyl 3-Amino-4-(isopropylamino)benzoate is a reagent used in the synthesis of N-acylated benzimidazolone derivatives as a anti-fungal activities. |
Molecular Weight: | 222.28 |
Molecular Formula: | C12H18N2O2 |
Canonical SMILES: | CCOC(=O)C1=CC(=C(C=C1)NC(C)C)N |
InChI: | InChI=1S/C12H18N2O2/c1-4-16-12(15)9-5-6-11(10(13)7-9)14-8(2)3/h5-8,14H,4,13H2,1-3H3 |
InChI Key: | HUFSVBYBODFFDE-UHFFFAOYSA-N |
References: | Wei, S., et al. J. Braz. Chem. Soc., 26, 633-641 (2015). |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.136827821 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.136827821 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 64.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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