3-(Azepan-1-yl)propanoic Acid Hydrochloride - CAS 136671-92-6
Catalog: |
BB055153 |
Product Name: |
3-(Azepan-1-yl)propanoic Acid Hydrochloride |
CAS: |
136671-92-6 |
Synonyms: |
3-(azepan-1-yl)propanoic acid hydrochloride; 3-(1-Azepanyl)propanoic acid hydrochloride; 3-(azepan-1-yl)propanoic acid; hydrochloride; 3-AZEPAN-1-YL-PROPIONIC ACID HYDROCHLORIDE; 3-(azepan-1-yl)propanoicacidhydrochloride |
IUPAC Name: | 3-(azepan-1-yl)propanoic acidhydrochloride |
Molecular Weight: | 171.24 + (36.46) |
Molecular Formula: | C9H17NO2·HCl |
Canonical SMILES: | C1CCCN(CC1)CCC(=O)O.Cl |
InChI: | InChI=1S/C9H17NO2.ClH/c11-9(12)5-8-10-6-3-1-2-4-7-10/h1-8H2,(H,11,12)1H |
InChI Key: | MYHZEYAIMYTASR-UHFFFAOYSA-N |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.1026065 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.1026065 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 40.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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