Methyl 3-amino-4-(butylamino)benzoate - CAS 475489-75-9
Catalog: |
BB076088 |
Product Name: |
Methyl 3-amino-4-(butylamino)benzoate |
CAS: |
475489-75-9 |
Synonyms: |
Methyl 3-amino-4-(butylamino)benzoate; Methyl3-amino-4-(butylamino)benzoate; 3-Amino-4-butylaminobenzoic acid methyl ester |
IUPAC Name: | methyl 3-amino-4-(butylamino)benzoate |
Description: | Methyl 3-amino-4-(butylamino)benzoate |
Molecular Weight: | 222.28 |
Molecular Formula: | C12H18N2O2 |
Canonical SMILES: | CCCCNC1=C(C=C(C=C1)C(=O)OC)N |
InChI: | InChI=1S/C12H18N2O2/c1-3-4-7-14-11-6-5-9(8-10(11)13)12(15)16-2/h5-6,8,14H,3-4,7,13H2,1-2H3 |
InChI Key: | UUWAHRYRPZTMME-UHFFFAOYSA-N |
Complexity: | 221 |
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: | 6 |
Topological Polar Surface Area: | 64.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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