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4631-12-3

4631-12-3 structure
4631-12-3 structure
  • Name: L-Aspartic acid,N-benzoyl-
  • Chemical Name: 2-benzamidobutanedioic acid
  • CAS Number: 4631-12-3
  • Molecular Formula: C11H11NO5
  • Molecular Weight: 237.20900
  • Catalog: Research Areas Others
  • Create Date: 2016-03-16 05:24:07
  • Modify Date: 2025-09-18 07:00:37
  • N-benzoyl-L-aspartic acid, a major metabolite of benzyl glucosinolate, can be used for modification of peptides or proteins[1].
Name 2-benzamidobutanedioic acid
Synonyms N-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
Description N-benzoyl-L-aspartic acid, a major metabolite of benzyl glucosinolate, can be used for modification of peptides or proteins[1].
Related Catalog
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.
Density 1.404g/cm3
Boiling Point 502ºC at 760 mmHg
Molecular Formula C11H11NO5
Molecular Weight 237.20900
Flash Point 257.4ºC
Exact Mass 237.06400
PSA 103.70000
LogP 0.73520
Index of Refraction 1.588

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CI9100000
CHEMICAL NAME :
L-Aspartic acid, N-benzoyl-
CAS REGISTRY NUMBER :
4631-12-3
BEILSTEIN REFERENCE NO. :
2507411
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H11-N-O5
MOLECULAR WEIGHT :
237.23

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 :
1740 mg/kg
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
HS Code 2924299090
98-88-4 structure

98-88-4

5269-42-1 structure

5269-42-1

~89%

4631-12-3 structure

4631-12-3

Literature: Castano, Ana M.; Echavarren, Antonio M. Tetrahedron, 1992 , vol. 48, # 16 p. 3377 - 3384
2566-23-6 structure

2566-23-6

~%

4631-12-3 structure

4631-12-3

Literature: Goldschmidt; Freyss Chemische Berichte, 1933 , vol. 66, p. 784
17966-68-6 structure

17966-68-6

~%

56-84-8 structure

56-84-8

4915-59-7 structure

4915-59-7

4631-12-3 structure

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
6298-09-5 structure

6298-09-5

~%

4631-12-3 structure

4631-12-3

Literature: Langenbeck Chemische Berichte, 1925 , vol. 58, p. 227
623-11-0 structure

623-11-0

2584-68-1 structure

2584-68-1

7722-84-1 structure

7722-84-1

~%

4631-12-3 structure

4631-12-3

Literature: Holmberg Svedberg-Festschr. S. 299, 304
98-88-4 structure

98-88-4

~%

4631-12-3 structure

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
56-84-8 structure

56-84-8

98-88-4 structure

98-88-4

~%

4631-12-3 structure

4631-12-3

Literature: Kuritsyn, L. V.; Kalinina, N. V. Russian Journal of Organic Chemistry, 1994 , vol. 30, # 5.2 p. 767 - 770 Zhurnal Organicheskoi Khimii, 1994 , vol. 30, # 5 p. 723 - 725
HS Code 2924299090
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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