2,7-Diamino-2-phenylheptanoic Acid Dihydrochloride - CAS 1177328-53-8
Catalog: |
BB068259 |
Product Name: |
2,7-Diamino-2-phenylheptanoic Acid Dihydrochloride |
CAS: |
1177328-53-8 |
Synonyms: |
α-Amino-α-(5-aminopentyl)-benzeneacetic Acid Dihydrochloride |
IUPAC Name: | 2,7-diamino-2-phenylheptanoic aciddihydrochloride |
Description: | 2,7-Diamino-2-phenylheptanoic Acid Dihydrochloride |
Molecular Weight: | 236.31 +(72.92) |
Molecular Formula: | C13H20N2O2·2HCl |
Canonical SMILES: | C1=CC=C(C=C1)C(CCCCCN)(C(=O)O)N.Cl.Cl |
InChI: | InChI=1S/C13H20N2O2.2ClH/c14-10-6-2-5-9-13(15,12(16)17)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,14-15H2,(H,16,17)2*1H |
InChI Key: | CZLYZZNEESOBHQ-UHFFFAOYSA-N |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 308.1058333 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 5 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 308.1058333 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 89.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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