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641569-96-2
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 Weight 284.27 g/mol
Molecular Formula C11H16N4O5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area157
Heavy Atom Count20
Formal Charge0
Complexity299
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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Digital Content Digital Content
URL Supplier Web Content
CAS-641569-96-2
Nilotinib
We are Rampex Labs, a fully cGMP compliant pharmaceutical intermediates plant located in the outskirts of...
We are Rampex Labs, a fully cGMP compliant pharmaceutical intermediates plant located in the outskirts of Hyderabad, India. Our company was founded in 2004 with commercial operations starting initially by outsourcing our production. In January 2008, our own production became operational and our journey really began. From our inception, we have strived to be the best and work with the best. Our client list comprises of some of the leading API producers within India and abroad. We at Rampex strongly believe that commitment to quality and timely deliveries ensure a very smooth working relationship with all our customers.
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