Ethyl 3-amino-4-(butylamino)benzoate - CAS 1220018-22-3
Catalog: |
BB065916 |
Product Name: |
Ethyl 3-amino-4-(butylamino)benzoate |
CAS: |
1220018-22-3 |
Synonyms: |
Ethyl 3-amino-4-(butylamino)benzoate; Ethyl3-amino-4-(butylamino)benzoate |
IUPAC Name: | ethyl 3-amino-4-(butylamino)benzoate |
Description: | Ethyl 3-amino-4-(butylamino)benzoate |
Molecular Weight: | 236.31 |
Molecular Formula: | C13H20N2O2 |
Canonical SMILES: | CCCCNC1=C(C=C(C=C1)C(=O)OCC)N |
InChI: | InChI=1S/C13H20N2O2/c1-3-5-8-15-12-7-6-10(9-11(12)14)13(16)17-4-2/h6-7,9,15H,3-5,8,14H2,1-2H3 |
InChI Key: | BPPIUQJSJWGCEP-UHFFFAOYSA-N |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.152477885 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.152477885 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 64.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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