(S)-(-)-1-Phenylethylamine - for the resolution of racemates for synthesis , CAS No.2627-86-3

CAS: 2627-86-3 Cat. No.: S432505 Summenformel: C₈H₁₁N Molekulargewicht: 121.18 Beilstein Registry Number: 2204907 EG-Nummer: 220-098-0

GRADE & PURITY for the resolution of racemates for synthesis

Synonyms

(1 S)-1-phenylethanamine | (s)-alpha-methylbenzyl amine | .ALPHA.-METHYLBENZYLAMINE (-)-FORM [MI] | RQEUFEKYXDPUSK-ZETCQYMHSA-N | (s)-(-)-phenethylamine | (S)-alpha-Methylbenzylamine | (S)-alpha-methyl-benzylamine | AC-8774 | L-(-)-alpha-Phenylethylamine

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

(1 S)-1-phenylethanamine | (s)-alpha-methylbenzyl amine | .ALPHA.-METHYLBENZYLAMINE (-)-FORM [MI] | RQEUFEKYXDPUSK-ZETCQYMHSA-N | (s)-(-)-phenethylamine | (S)-alpha-Methylbenzylamine | (S)-alpha-methyl-benzylamine | AC-8774 | L-(-)-alpha-Phenylethylamine

Spezifikationen & Reinheit

for the resolution of racemates for synthesis

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

Pubchem Sid

504754996

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754996

Kanonisches Lächeln

CC(C1=CC=CC=C1)N

IUPAC Name

(1S)-1-phenylethanamine

InChIKey

RQEUFEKYXDPUSK-ZETCQYMHSA-N

INCHI

1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m0/s1

Isomere SMILES

C[C@@H](C1=CC=CC=C1)N

WGK Deutschland

1

RTECS

DP5775000

UN-Nummer

2922

Verpackungsgruppe

II

Molekulargewicht

121.18

Beilstein

2204907

Reaxy-Rn

636127

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636127&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Klasse Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Benzene and substituted derivatives Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aralkylamine - Benzenoid - Monocyclic benzene moiety - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
• External Descriptors: 1-phenylethylamine

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

Zugehörige Ziele (menschlich)

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

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

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

Zugehörige Ziele (nicht menschlich)

Bos taurus (956 Activities)

Explore this target

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

Grin1 Glutamate NMDA receptor (6467 Activities)

Discover Target: Grin1

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.526
• Spezifische Drehung [α]: -39 ° (neat)
• Flammpunkt (°F): 158 °F
• Flammpunkt (°C): 70 °C
• Siedepunkt (°C): 187°C
• Schmelzpunkt (°C): -10°C
• Molekulargewicht: 121.180 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 121.089 Da
• Monoisotopic Mass: 121.089 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 74.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1