DL-Phenylalaninol - ≥98%(GC)(T) , CAS No.16088-07-6

CAS: 16088-07-6 Cat. No.: S160981 Molecular Weight: 151.21 Beilstein Registry Number: 13(2)386 EC Number: 605-234-2

GRADE & PURITY ≥98%(GC)(T)

Synonyms

AM85416 | BENZENEPROPANOL, .BETA.-AMINO- | C8L8LX87R1 | NSC-163170 | SY013878 | UNII-C8L8LX87R1 | D(+)-Phenylalaninol;(R)-(+)-2-Amino-3-phenyl-1-propanol;D-Penylalaninol | H-D-PHE-OL | P1791 | A5737 | A883176 | BDBM50028644 | Benzenepropanol, beta-amino-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AM85416 | BENZENEPROPANOL, .BETA.-AMINO- | C8L8LX87R1 | NSC-163170 | SY013878 | UNII-C8L8LX87R1 | D(+)-Phenylalaninol;(R)-(+)-2-Amino-3-phenyl-1-propanol;D-Penylalaninol | H-D-PHE-OL | P1791 | A5737 | A883176 | BDBM50028644 | Benzenepropanol, beta-amino-

Specifications & Purity

≥98%(GC)(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)(T)

Names and Identifiers

• Pubchem Sid: 488185308
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185308
• Canonical Smiles: C1=CC=C(C=C1)CC(CO)N
• IUPAC Name: 2-amino-3-phenylpropan-1-ol
• InChIKey: STVVMTBJNDTZBF-UHFFFAOYSA-N
• INCHI: 1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2
• Isomeric SMILES: C1=CC=C(C=C1)CC(CO)N
• Molecular Weight: 151.21
• Beilstein: 13(2)386
• Reaxy-Rn: 2208237
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208237&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Amphetamines and derivatives
• Alternative Parents: Aralkylamines 1,2-aminoalcohols Primary alcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Amphetamine or derivatives - Aralkylamine - 1,2-aminoalcohol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

PNMT Tchem Phenylethanolamine N-methyltransferase (540 Activities)

Discover Target: PNMT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Specific Rotation[α]: -1.0 to +1.0 deg(C=5, 1mol/L HCl)
• Boil Point(°C): 130 °C/3 mmHg
• Melt Point(°C): 69.0 to 73.0 °C
• Molecular Weight: 151.210 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 151.1 Da
• Monoisotopic Mass: 151.1 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 99.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Shanshan Wu, Qiumin Ye, Datong Wu, Yongxin Tao, Yong Kong.  (2020)  Enantioselective Recognition of Chiral Tryptophan with Achiral Glycine through the Strategy of Chirality Transfer.  ANALYTICAL CHEMISTRY,      [PMID:32786461] [10.1021/acs.analchem.0c02335]