Methyl 3-amino-4-(tert-butylamino)benzoate - CAS 1249236-95-0
Catalog: |
BB076107 |
Product Name: |
Methyl 3-amino-4-(tert-butylamino)benzoate |
CAS: |
1249236-95-0 |
Synonyms: |
methyl 3-amino-4-(tert-butylamino)benzoate;methyl3-amino-4-(tert-butylamino)benzoate |
IUPAC Name: | methyl 3-amino-4-(tert-butylamino)benzoate |
Description: | Methyl 3-amino-4-(tert-butylamino)benzoate |
Molecular Weight: | 222.28 |
Molecular Formula: | C12H18N2O2 |
Canonical SMILES: | CC(C)(C)NC1=C(C=C(C=C1)C(=O)OC)N |
InChI: | InChI=1S/C12H18N2O2/c1-12(2,3)14-10-6-5-8(7-9(10)13)11(15)16-4/h5-7,14H,13H2,1-4H3 |
InChI Key: | GPVIASMXBGDGOU-UHFFFAOYSA-N |
Complexity: | 248 |
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: | 4 |
Topological Polar Surface Area: | 64.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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