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

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

8 Citations

COA

Grade & Purity:

for the resolution of racemates for synthesis

Cas Number: 2627-86-3
Molecular Weight: 121.18
Beilstein Registry Number: 2204907
EC Number: 220-098-0
PubChem CID: 75818
PubChem SID: 504754996

In stock

Item Number

S432505

Grouped product items
SKU	Size	Availability	Price	Qty
S432505-10ml	10ml	2	$71.90
S432505-25ml	25ml	2	$171.90

Basic Description

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
Specifications & Purity	for the resolution of racemates for synthesis
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Amines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	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
Description	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
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)

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

Associated Targets(non-human)

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504754996
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754996
IUPAC Name	(1S)-1-phenylethanamine
INCHI	InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m0/s1
InChIKey	RQEUFEKYXDPUSK-ZETCQYMHSA-N
Smiles	CC(C1=CC=CC=C1)N
Isomeric SMILES	C[C@@H](C1=CC=CC=C1)N
WGK Germany	1
RTECS	DP5775000
UN Number	2922
Molecular Weight	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=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
H2420078	Certificate of Analysis	Aug 27, 2024	S432505
F2425134	Certificate of Analysis	Jun 26, 2024	S432505
H2318065	Certificate of Analysis	Aug 28, 2023	S432505
H2323040	Certificate of Analysis	Aug 28, 2023	S432505

Chemical and Physical Properties

Refractive Index	1.526
Specific Rotation[α]	-39 ° (neat)
Flash Point(°F)	158 °F
Flash Point(°C)	70 °C
Boil Point(°C)	187°C
Melt Point(°C)	-10°C
Molecular Weight	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 Å²
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

Alternative Products

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