Isohexylamine Hydrochloride Salt - CAS 116008-13-0
Catalog: |
BB063868 |
Product Name: |
Isohexylamine Hydrochloride Salt |
CAS: |
116008-13-0 |
Synonyms: |
4-Methyl-1-pentanamine Hydrochloride |
IUPAC Name: | 4-methylpentan-1-aminehydrochloride |
Description: | Isohexylamine Hydrochloride Salt is an analog of Isohexylamine (I819643).Isohexylamine Hydrochloride Salt was used in catalytic alkylation of remote C-H bonds enabled by proton-coupled electron transfer. |
Molecular Weight: | 101.19 + 36.46 |
Molecular Formula: | C6H15N·HCl |
Canonical SMILES: | CC(C)CCCN.Cl |
InChI: | InChI=1S/C6H15N.ClH/c1-6(2)4-3-5-7/h6H,3-5,7H2,1-2H31H |
InChI Key: | YQZPRXHVRLGGFH-UHFFFAOYSA-N |
References: | Choi, G., et al. Nature, 539, 268 (2016). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 33.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 137.0971272 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 137.0971272 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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