3,4-Dichloro-n-(pyrrolidin-2-ylmethyl)aniline Dioxalate - CAS 1177282-35-7
Catalog: |
BB067954 |
Product Name: |
3,4-Dichloro-n-(pyrrolidin-2-ylmethyl)aniline Dioxalate |
CAS: |
1177282-35-7 |
Synonyms: |
3,4-DICHLORO-N-(PYRROLIDIN-2-YLMETHYL)ANILINE DIOXALATE; 3,4-dichloro-N-(pyrrolidin-2-ylmethyl)aniline; oxalic acid; 3,4-Dichloro-N-(pyrrolidin-2-ylmethyl)aniline (2C2H2O4); 3,4-DICHLORO-N-(PYRROLIDIN-2-YLMETHYL)ANILINEDIOXALATE |
IUPAC Name: | 3,4-dichloro-N-(pyrrolidin-2-ylmethyl)anilineoxalic acid |
Description: | 3,4-Dichloro-n-(pyrrolidin-2-ylmethyl)aniline Dioxalate |
Molecular Weight: | 425.22 |
Molecular Formula: | C15H18Cl2N2O8 |
Canonical SMILES: | C1CC(NC1)CNC2=CC(=C(C=C2)Cl)Cl.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
InChI: | InChI=1S/C11H14Cl2N2.2C2H2O4/c12-10-4-3-8(6-11(10)13)15-7-9-2-1-5-14-92*3-1(4)2(5)6/h3-4,6,9,14-15H,1-2,5,7H22*(H,3,4)(H,5,6) |
InChI Key: | YSWIOAKOIULJNC-UHFFFAOYSA-N |
Complexity: | 273 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 424.0440209 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 10 |
Hydrogen Bond Donor Count: | 6 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 424.0440209 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 173Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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