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Nα-Carbobenzoxy-DL-asparagine - >99.0%(T), high purity , CAS No.29880-22-6

COA

Grade & Purity:

≥99%(T)

Cas Number: 29880-22-6
Molecular Weight: 266.25
MDL number: MFCD00065101
PubChem CID: 246565
PubChem SID: 488188981

In stock

Item Number

N159597

Grouped product items
SKU	Size	Availability	Price
N159597-1g	1g	3	$12.90
N159597-5g	5g	1	$55.90
N159597-25g	25g	1	$250.90
N159597-100g	100g	1	$900.90

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Chemical Biology (1255) N-protected amino acids (344)

Basic Description

Synonyms	4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid \| InChI=1/C12H14N2O5/c13-10(15)6-9(11(16)17)14-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,15)(H,14,18)(H,16,17) \| Cbz-DL-asparagine \| NSC88498 \| NSC-88498 \| SY104419 \| 4-amino-2-(benzyloxycarbon
Specifications & Purity	≥99%(T)
Shipped In	Normal
Product Description	Used in experimental research.

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 Asparagine 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	Asparagine and derivatives
Alternative Parents	Benzyloxycarbonyls Fatty amides Carbamate esters Primary carboxylic acid amides 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	Asparagine or derivatives - Benzyloxycarbonyl - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Carbamic acid ester - Carboxamide group - Primary carboxylic acid amide - Carbonic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as asparagine and derivatives. These are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine 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

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	488188981
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488188981
IUPAC Name	4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid
INCHI	InChI=1S/C12H14N2O5/c13-10(15)6-9(11(16)17)14-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,15)(H,14,18)(H,16,17)
InChIKey	FUCKRCGERFLLHP-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)COC(=O)NC(CC(=O)N)C(=O)O
Isomeric SMILES	C1=CC=C(C=C1)COC(=O)NC(CC(=O)N)C(=O)O
Molecular Weight	266.25
Reaxy-Rn	2566463
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2566463&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.

5 results found

Lot Number	Certificate Type	Date	Item
G1919212	Certificate of Analysis	May 09, 2023	N159597
H1830101	Certificate of Analysis	Jun 24, 2022	N159597
H1830100	Certificate of Analysis	Jun 24, 2022	N159597
A2213048	Certificate of Analysis	Jan 26, 2022	N159597
A2213047	Certificate of Analysis	Jan 18, 2022	N159597

Chemical and Physical Properties

Flash Point(°F)	304.9℃
Flash Point(°C)	304.9℃
Boil Point(°C)	580.6℃
Melt Point(°C)	165℃
Molecular Weight	266.250 g/mol
XLogP3	-0.100
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	266.09 Da
Monoisotopic Mass	266.09 Da
Topological Polar Surface Area	119.000 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	339.000
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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