641569-96-2

Chemistry, 2 End Use API, 19 Related Intermediates

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Also known as: 641569-96-2, 3-[(aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate, Ethyl 3-(diaminomethylideneamino)-4-methylbenzoate;nitric acid, C11h16n4o5, Ethyl 3-[(diaminomethylidene)amino]-4-methylbenzoate nitrate, Schembl1927445

Molecular Formula

C₁₁H₁₆N₄O₅

Molecular Weight

284.27 g/mol

InChI Key

YQMZYKJPGMVZJL-UHFFFAOYSA-N

1 2D Structure

641569-96-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 3-(diaminomethylideneamino)-4-methylbenzoate;nitric acid

2.1.2 InChI

InChI=1S/C11H15N3O2.HNO3/c1-3-16-10(15)8-5-4-7(2)9(6-8)14-11(12)13;2-1(3)4/h4-6H,3H2,1-2H3,(H4,12,13,14);(H,2,3,4)

2.1.3 InChI Key

YQMZYKJPGMVZJL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C1=CC(=C(C=C1)C)N=C(N)N.[N+](=O)(O)[O-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 641569-96-2

2. 3-[(aminoiminomethyl)amino]-4-methylbenzoic Acid Ethyl Ester Mononitrate

3. Ethyl 3-(diaminomethylideneamino)-4-methylbenzoate;nitric Acid

4. C11h16n4o5

5. Ethyl 3-[(diaminomethylidene)amino]-4-methylbenzoate Nitrate

6. Schembl1927445

7. Dtxsid70657702

8. Yqmzykjpgmvzjl-uhfffaoysa-n

9. Bcp14858

10. Mfcd11100711

11. Akos015888622

12. Ac-8509

13. Ds-3876

14. Ethyl3-guanidino-4-methylbenzoatenitrate

15. Am20090653

16. Cs-0023000

17. E1079

18. Ethyl 3-carbamimidoylamino-p-toluate Nitrate

19. Ft-0657303

20. 3-guanidino-4-methylbenzoic Acid Ethyl Ester Nitrate

21. Ethyl 3-carbamimidoylamino-4-methylbenzoate Nitrate

22. 3-carbamimidoylamino-p-toluic Acid Ethyl Ester Nitrate

23. 3-carbamimidoylamino-4-methylbenzoic Acid Ethyl Ester Nitrate

24. 3-[(aminoiminomethyl)amino]-4-methyl-benzoicacidethylestermononitrate

25. 3-(aminoiminomethylamino)-4-methylbenzoic Acid Ethyl Ester Mononitrate

26. Nitric Acid--ethyl 3-[(diaminomethylidene)amino]-4-methylbenzoate (1/1)

27. Benzoic Acid, 3-[(aminoiminomethyl)amino]-4-methyl-, Ethyl Ester, Nitrate (1:1)

28. Benzoic Acid, 3-[(aminoiminomethyl)amino]-4-methyl-, Ethyl Ester, Nitrate (1:1); Benzoic Acid, 3-[(aminoiminomethyl)amino]-4-methyl-, Ethyl Ester, Mononitrate (9ci); 3-[(aminoiminomethyl)amino]-4-methylbenzoic Acid Ethyl Ester Mononitrate

2.3 Create Date

2009-09-01

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₆N₄O₅
Molecular Weight	284.27 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	157
Heavy Atom Count	20
Formal Charge	0
Complexity	299
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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Shenzhen Haorui

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Nilotinib

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CAS Number

641569-96-2

Intermediate Name

3-[(Aminoiminomethyl)amino]-4-methy...

About the Company

Haorui, established in 1997, is a manufacturer and supplier of APIs, intermediates, veterinary and food a...

Haorui, established in 1997, is a manufacturer and supplier of APIs, intermediates, veterinary and food additives. Meanwhile, it is assisting global pharmaceutical companies to get the domestic registration of their finished dosage for their international expansion. Our USFDA approved products Flumazenil, Granisetron HCl, Granisetron Base, Docetaxel Anhydrous, Irinotecan HCl, Dasatinib Monohydrate, Oxaliplatin and Temozolomide have been recognized by our customers globally. In addition, our Amisulpride API acquired CEP, UK GMP & USDMF.

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Tivan Sciences

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CAS Number

641569-96-2

Intermediate Name

3-[(Aminoiminomethyl)amino]-4-methy...

About the Company

Tivan Sciences is an API manufacturing company founded in January 2020 and located in Rajkot, Gujarat. Th...

Tivan Sciences is an API manufacturing company founded in January 2020 and located in Rajkot, Gujarat. The company is committed to developing high-quality products through robust in-house R&D which allows them to constantly innovate and create new products that meet the needs of the market. They have team expertise in organic chemistry, analytical chemistry, and chemical engineering. Additionally, they use state-of-the-art equipment and follow industry-standard procedures to ensure consistency and quality in our products.

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