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2-[benzyloxycarbonyl(methyl)amino]-3-phenyl-propanoic acid - 97%, high purity , CAS No.81134-79-4

COA

Grade & Purity:

≥97%

Cas Number: 81134-79-4
Molecular Weight: 313.35
MDL number: MFCD09859635
PubChem CID: 282055

In stock

Item Number

P638379

Grouped product items
SKU	Size	Availability	Price	Qty
P638379-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$275.90

Basic Description

Synonyms	2-[benzyloxycarbonyl(methyl)amino]-3-phenyl-propanoic acid \| SY322754 \| (2R)-2-[benzyloxycarbonyl(methyl)amino]-3-phenyl-propanoic acid \| MFCD00153393 \| C78485 \| EN300-6748101 \| NSC135129 \| NSC-135129 \| SCHEMBL8067076 \| 2-{[(BENZYLOXY)CARBONYL](METHYL)AMI
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Phenylalanine and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Phenylalanine and derivatives
Alternative Parents	Phenylpropanoic acids Benzyloxycarbonyls Amphetamines and derivatives Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylalanine or derivatives - 3-phenylpropanoic-acid - Amphetamine or derivatives - Benzyloxycarbonyl - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
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

IUPAC Name	2-[methyl(phenylmethoxycarbonyl)amino]-3-phenylpropanoic acid
INCHI	InChI=1S/C18H19NO4/c1-19(18(22)23-13-15-10-6-3-7-11-15)16(17(20)21)12-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3,(H,20,21)
InChIKey	JDGXKNMKNMSHRJ-UHFFFAOYSA-N
Smiles	CN(C(CC1=CC=CC=C1)C(=O)O)C(=O)OCC2=CC=CC=C2
Isomeric SMILES	CN(C(CC1=CC=CC=C1)C(=O)O)C(=O)OCC2=CC=CC=C2
Alternate CAS	2899-07-2
PubChem CID	282055
NSC Number	135129
Molecular Weight	313.35

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	313.300 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	313.131 Da
Monoisotopic Mass	313.131 Da
Topological Polar Surface Area	66.800 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	386.000
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

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