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N-BENZOYL-ASPARTIC ACID structure, CAS 4631-12-3

N-BENZOYL-ASPARTIC ACID

CAS Number4631-12-3

SynonymsN-Benzoyl-4-nitro-L-phenylalanin; N-Benzoyl-L-asparaginsaeure; N-benzoyl-4-nitro-L-phenylalanine; N-benzoylaspartate; N-Benzoyl-L-aspartic acid; L-N-benzoylaspartic acid; N-Benzoyl-p-nitro-L-phenylalanin

Molecular FormulaC11H11O5N1

Molecular Weight237.21

Purity

Density1.404g/cm3

Boiling Point502ºC at 760 mmHg

Melting Point

Flash Point

Appearance

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Symbol

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Cat. No.: 2A-3176809 Purity:
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Quality Control of [ 4631-12-3 ] SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number4631-12-3
Catalog No.2A-3176809
Chinese NameN-benzoyl-L-aspartic acid
SynonymsN-Benzoyl-4-nitro-L-phenylalanin; N-Benzoyl-L-asparaginsaeure; N-benzoyl-4-nitro-L-phenylalanine; N-benzoylaspartate; N-Benzoyl-L-aspartic acid; L-N-benzoylaspartic acid; N-Benzoyl-p-nitro-L-phenylalanin
Molecular FormulaC11H11O5N1
Molecular Weight237.21
Density1.404g/cm3
Boiling Point502ºC at 760 mmHg
ApplicationN-benzoyl-L-aspartic acid is the main metabolite of benzyl glucosinolate and can be used to modify peptides or proteins [1].
HTC2924299090
MDL NumberMFCD01924427
SMILESO=C(O)CC(NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C11H11NO5/c13-9(14)6-8(11(16)17)12-10(15)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,15)(H,13,14)(H,16,17)
InChI KeyDJLTZJGULPLVOA-QMMMGPOBSA-N
MSDSmsds/177343_1_4631_12_3.pdf
Use ofN-benzoyl-L-aspartic acid, a major metabolite of benzyl glucosinolate, can be used for modification of peptides or proteins[1]. Properties Name 2-benzamidobutanedioic acid Synonym More Synonyms L-Aspartic acid,N-benzoyl Biological Activity Description N-benzoyl-L-aspartic acid, a major metabolite of benzyl glucosinolate, can be used for modification of peptides or proteins[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others In Vitro N-benzoyl-L-aspartic acid resists racemisation by aqueous acetic anhydride and evidence is adduced to show that they form internal anhydrides rather than oxazolones under these conditions[2]. References [1]. Friedrichs J, et, al. Novel glucosinolate metabolism in larvae of the leaf beetle Phaedon cochleariae. Insect Biochem Mol Biol. 2020 Sep;124:103431. [2]. BARKER CC, et, al. The Dehydration and Racemisation of N-Acyl-L-aspartic Acids by Acetic Anhydride. Journal of the Chemical Society. 1953. Chemical & Physical Properties Molecular Formula C11H11NO5 Exact Mass 237.06400 PSA 103.70000 LogP 0.73520 Index of Refraction 1.588 InChIKey DJLTZJGULPLVOA-QMMMGPOBSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : L-Aspartic acid, N-benzoyl- CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C11-H11-N-O5 MOLECULAR WEIGHT : HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 25,569,1991 Safety Information HS Code 2924299090 Synthetic Route Benzoyl chloride CAS#:98-88-4 L-Aspartic acid... CAS#:5269-42-1 L-Aspartic acid... CAS#:4631-12-3 Literature: Castano, Ana M.; Echavarren, Antonio M. Tetrahedron, 1992 , vol. 48, # 16 p. 3377 - 3384 n-benzoyl-l-tyrosine CAS#:2566-23-6 L-Aspartic acid... CAS#:4631-12-3 Literature: Goldschmidt; Freyss Chemische Berichte, 1933 , vol. 66, p. 784 (2S)-2-benzamid... CAS#:17966-68-6 L-Aspartic acid CAS#:56-84-8 2-benzamidobuta... CAS#:4915-59-7 L-Aspartic acid... CAS#:4631-12-3 Literature: Holland, Herbert L.; Andreana, Peter R.; Salehzadeh-Asl, Reza; Van Vliet, Aaron; Ihasz, Nancy J.; Brown, Frances M. Monatshefte fur Chemie, 2000 , vol. 131, # 6 p. 667 - 672 Precursor & DownStream Precursor 8 CAS#:98-88-4 Benzoyl chloride CAS#:5269-42-1 L-Aspartic acid... CAS#:2566-23-6 n-benzoyl-l-tyrosine CAS#:56-84-8 L-Aspartic acid DownStream 2 CAS#:54819-23-7 N-[(3S)-2,5-dio... CAS#:39741-36-1 N-(2,5-dioxooxo...
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 30.0%
Transport InfoProduct name: Summary 2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
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