(αR)-α-Methyl-N-(phenylmethyl)benzenepropanamine - CAS 75659-06-2
Catalog: |
BB056524 |
Product Name: |
(αR)-α-Methyl-N-(phenylmethyl)benzenepropanamine |
CAS: |
75659-06-2 |
Synonyms: |
(R)-α-Methyl-N-(phenylmethyl)benzenepropanamine |
IUPAC Name: | (2R)-N-benzyl-4-phenylbutan-2-amine |
Description: | (αR)-α-Methyl-N-(phenylmethyl)benzenepropanamine is an intermediate in the synthesis of (R,R)-Labetalol (L096500), a specific competitive antagonist at both α-and β-adrenergic receptor sites. (R,R)-Labetalol is used as an antihypertensive. |
Molecular Weight: | 239.36 |
Molecular Formula: | C17H21N |
Canonical SMILES: | CC(CCC1=CC=CC=C1)NCC2=CC=CC=C2 |
InChI: | InChI=1S/C17H21N/c1-15(12-13-16-8-4-2-5-9-16)18-14-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3/t15-/m1/s1 |
InChI Key: | ZASBYHZJHQFLGN-OAHLLOKOSA-N |
Solubility: | Chloroform, Methanol |
Appearance: | Yellow Oil |
References: | Tulshian, D. B., et al. Bioorg. Med. Chem. Lett., 3, 2073 (1993). |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.167399674 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.167399674 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 12Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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