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(1R,2R)-(-)-2-Amino-1-phenyl-1,3-propanediol - 98%, high purity , CAS No.46032-98-8

COA

Grade & Purity:

≥98%

Cas Number: 46032-98-8
Molecular Weight: 167.21
EC Number: 256-250-8
MDL number: MFCD00069617
PubChem CID: 6452039
PubChem SID: 504764226

In stock

Item Number

A115269

Grouped product items
SKU	Size	Availability	Price
A115269-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$26.90
A115269-250mg	250mg	3	$51.90
A115269-1g	1g	3	$157.90
A115269-5g	5g	2	$562.90

Basic Description

Synonyms	7Q33891T0E \| AMY7191 \| AC-10012 \| AT23147 \| (1R,2R)-(-)-2-Amino-1-phenyl-propane-1,3-diol \| EINECS 256-250-8 \| AS-17784 \| 2-Amino-1-phenyl-1,3-propanediol, threo-(-)- \| 1,3-Propanediol, 2-amino-1-phenyl-, (1R,2R)- \| W-106104 \| D-THREO-1-PHENYL-2-AMINO-1,3
Specifications & Purity	≥98%
Shipped In	Normal

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 Secondary alcohols 1,2-aminoalcohols Primary alcohols Monoalkylamines Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aralkylamine - Benzenoid - Monocyclic benzene moiety - Secondary alcohol - 1,2-aminoalcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary amine - Primary alcohol - Organooxygen compound - Primary aliphatic amine - Alcohol - 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	Not available
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

Names and Identifiers

Pubchem Sid	504764226
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504764226
IUPAC Name	(1R,2R)-2-amino-1-phenylpropane-1,3-diol
INCHI	InChI=1S/C9H13NO2/c10-8(6-11)9(12)7-4-2-1-3-5-7/h1-5,8-9,11-12H,6,10H2/t8-,9-/m1/s1
InChIKey	JUCGVCVPNPBJIG-RKDXNWHRSA-N
Smiles	C1=CC=C(C=C1)C(C(CO)N)O
Isomeric SMILES	C1=CC=C(C=C1)[C@H]([C@@H](CO)N)O
WGK Germany	3
UN Number	3259
Molecular Weight	167.21
Reaxy-Rn	1283429
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1283429&ln=

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
B2308179	Certificate of Analysis	Dec 07, 2022	A115269
B2308180	Certificate of Analysis	Dec 07, 2022	A115269
B2308181	Certificate of Analysis	Dec 07, 2022	A115269
G2426033	Certificate of Analysis	Dec 07, 2022	A115269

Chemical and Physical Properties

Specific Rotation[α]	-26.5 ° (C=1, MeOH)
Melt Point(°C)	112-118°C
Molecular Weight	167.200 g/mol
XLogP3	-0.200
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	167.095 Da
Monoisotopic Mass	167.095 Da
Topological Polar Surface Area	66.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	124.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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

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