Methyl 4-amino-3-(diethylamino)benzoate - CAS 1314987-87-5
Catalog: |
BB076094 |
Product Name: |
Methyl 4-amino-3-(diethylamino)benzoate |
CAS: |
1314987-87-5 |
Synonyms: |
Methyl 4-amino-3-(diethylamino)benzoate; 4-(Methoxycarbonyl)-2,2-diethylbenzene-1,2-diamine; Methyl4-amino-3-(diethylamino)benzoate |
IUPAC Name: | methyl 4-amino-3-(diethylamino)benzoate |
Description: | Methyl 4-amino-3-(diethylamino)benzoate |
Molecular Weight: | 222.28 |
Molecular Formula: | C12H18N2O2 |
Canonical SMILES: | CCN(CC)C1=C(C=CC(=C1)C(=O)OC)N |
InChI: | InChI=1S/C12H18N2O2/c1-4-14(5-2)11-8-9(12(15)16-3)6-7-10(11)13/h6-8H,4-5,13H2,1-3H3 |
InChI Key: | ILZMGHGPYNRXCS-UHFFFAOYSA-N |
Complexity: | 229 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.136827821 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 55.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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