Tivan Sciences

CAS 1025716-99-7

Chemistry, 2 End Use API, 25 Related Intermediates

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Also known as: 1025716-99-7, Schembl533661, Akos015890561, C14024, Methyl 3-guanidino-4-methylbenzoate mononitrate, 3-(aminoiminomethylamino)-4-methylbenzoic acid methyl ester nitrate

Molecular Formula

C₁₀H₁₄N₄O₅

Molecular Weight

270.24 g/mol

InChI Key

SFHRCNFZNRMPOT-UHFFFAOYSA-N

1 2D Structure

CAS 1025716-99-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C10H13N3O2.HNO3/c1-6-3-4-7(9(14)15-2)5-8(6)13-10(11)12;2-1(3)4/h3-5H,1-2H3,(H4,11,12,13);(H,2,3,4)

2.1.3 InChI Key

SFHRCNFZNRMPOT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C=C(C=C1)C(=O)OC)N=C(N)N.[N+](=O)(O)[O-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1025716-99-7

2. Schembl533661

3. Akos015890561

4. C14024

5. Methyl 3-guanidino-4-methylbenzoate Mononitrate

6. 3-(aminoiminomethylamino)-4-methylbenzoic Acid Methyl Ester Nitrate

2.3 Create Date

2010-09-07

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₄N₄O₅
Molecular Weight	270.24 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	270.09641956 g/mol
Monoisotopic Mass	270.09641956 g/mol
Topological Polar Surface Area	157 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	286
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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3-(dimethylamino)-1-(3-pyridinyl)-2-propen-1-one

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CAS Number

55314-16-4

End Use API

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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