Methyl 3-amino-4-(cyclopentylamino)benzoate - CAS 448190-81-6
Catalog: |
BB075836 |
Product Name: |
Methyl 3-amino-4-(cyclopentylamino)benzoate |
CAS: |
448190-81-6 |
Synonyms: |
Methyl 3-amino-4-(cyclopentylamino)benzoate; Methyl3-amino-4-(cyclopentylamino)benzoate; 3-Amino-4-(cyclopentylamino)benzoic acid methyl ester |
IUPAC Name: | methyl 3-amino-4-(cyclopentylamino)benzoate |
Description: | Methyl 3-amino-4-(cyclopentylamino)benzoate |
Molecular Weight: | 234.29 |
Molecular Formula: | C13H18N2O2 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)NC2CCCC2)N |
InChI: | InChI=1S/C13H18N2O2/c1-17-13(16)9-6-7-12(11(14)8-9)15-10-4-2-3-5-10/h6-8,10,15H,2-5,14H2,1H3 |
InChI Key: | ONJUYRGBFRHORO-UHFFFAOYSA-N |
Complexity: | 264 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.136827821 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.136827821 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 64.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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