2-Aminohexan-1-ol oxalate - CAS 855917-72-5
Catalog: |
BB074816 |
Product Name: |
2-Aminohexan-1-ol oxalate |
CAS: |
855917-72-5 |
Synonyms: |
2-AMINOHEXAN-1-OL OXALATE; 2-aminohexan-1-ol; oxalic acid; 2-AMINOHEXAN-1-OLOXALATE; 2-Aminohexan-1-ol (C2H2O4) |
IUPAC Name: | 2-aminohexan-1-oloxalic acid |
Description: | 2-Aminohexan-1-ol oxalate |
Molecular Weight: | 117.19 + (90.03) |
Molecular Formula: | C6H15NO·C2H2O4 |
Canonical SMILES: | CCCCC(CO)N.C(=O)(C(=O)O)O |
InChI: | InChI=1S/C6H15NO.C2H2O4/c1-2-3-4-6(7)5-83-1(4)2(5)6/h6,8H,2-5,7H2,1H3(H,3,4)(H,5,6) |
InChI Key: | GXWZDFSXBYINCU-UHFFFAOYSA-N |
Complexity: | 119 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.11067264 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.11067264 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 121Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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