1-(3-Chloropropyl)azepane Hydrochloride - CAS 57616-77-0
Catalog: |
BB062275 |
Product Name: |
1-(3-Chloropropyl)azepane Hydrochloride |
CAS: |
57616-77-0 |
Synonyms: |
1-(3-chloropropyl)azepane hydrochloride; 1-(3-chloropropyl)azepane; hydrochloride |
IUPAC Name: | 1-(3-chloropropyl)azepanehydrochloride |
Description: | 1-(3-Chloropropyl)azepane Hydrochloride (cas# 57616-77-0) is a useful research chemical for organic synthesis an other chemical processes. |
Molecular Weight: | 175.70 + (36.46) |
Molecular Formula: | C9H18ClN·(HCl) |
Canonical SMILES: | C1CCCN(CC1)CCCCl.Cl |
InChI: | InChI=1S/C9H18ClN.ClH/c10-6-5-9-11-7-3-1-2-4-8-11/h1-9H21H |
InChI Key: | GQEZLLGQUIRVHL-UHFFFAOYSA-N |
References: | Blicke, F. F., et al. J. Am. Chem. Soc., 76, 2317 (1954). |
Complexity: | 87.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.089455 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.089455 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 3.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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