1-Chloro-3-[(1-methylethyl)amino]-2-propanol Hydrochloride - CAS 39552-14-2
Catalog: |
BB069294 |
Product Name: |
1-Chloro-3-[(1-methylethyl)amino]-2-propanol Hydrochloride |
CAS: |
39552-14-2 |
Synonyms: |
1-Chloro-3-(isopropylamino)-2-propanol hydrochloride; 1-Isopropylamino-3-chloro-2-propanol hydrochloride; 3-Chloro-1-isopropylamino-2-propanol hydrochloride |
IUPAC Name: | 1-chloro-3-(propan-2-ylamino)propan-2-olhydrochloride |
Description: | 1-Chloro-3-[(1-methylethyl)amino]-2-propanol Hydrochloride is used as a reagent in the preparation of β-adrenergic blocking agents. |
Molecular Weight: | 151.63 + 36.46 |
Molecular Formula: | C6H14ClNO·HCl |
Canonical SMILES: | CC(C)NCC(CCl)O.Cl |
InChI: | InChI=1S/C6H14ClNO.ClH/c1-5(2)8-4-6(9)3-7/h5-6,8-9H,3-4H2,1-2H31H |
InChI Key: | FJWXQQCKEVEHBJ-UHFFFAOYSA-N |
Melting Point: | 78 - 83°C |
Solubility: | DMSO (Slightly), Methanol (Sparingly), Water (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | Hygroscopic, Refrigerator, under inert atmosphere |
References: | Smith, L. H., et al. J. Med. Chem., 20, 705 (1977). |
Complexity: | 68.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.0530695 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.0530695 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 32.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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