Shanghai Minbiotech

JAIGTTPBXVVFPN-UHFFFAOYSA-N

Chemistry, 1 End Use API, 8 Related Intermediates

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Also known as: 155742-64-6, Hydrazinecarboxylic acid, 2-(2-chloro-1-iminoethyl)-, methyl ester, Methyl 2-(2-chloro-1-iminoethyl)hydrazine-1-carboxylate, Mfcd09840880, N'-(2-chloroethanimidoyl)methoxycarbohydrazide, 2-(2-chloro-1-iminoethyl)hydrazinecarboxylic acid methyl ester

Molecular Formula

C₄H₈ClN₃O₂

Molecular Weight

165.58 g/mol

InChI Key

JAIGTTPBXVVFPN-UHFFFAOYSA-N

1 2D Structure

JAIGTTPBXVVFPN-UHFFFAOYSA-N

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl N-[(1-amino-2-chloroethylidene)amino]carbamate

2.1.2 InChI

InChI=1S/C4H8ClN3O2/c1-10-4(9)8-7-3(6)2-5/h2H2,1H3,(H2,6,7)(H,8,9)

2.1.3 InChI Key

JAIGTTPBXVVFPN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC(=O)NN=C(CCl)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 155742-64-6

2. Hydrazinecarboxylic Acid, 2-(2-chloro-1-iminoethyl)-, Methyl Ester

3. Methyl 2-(2-chloro-1-iminoethyl)hydrazine-1-carboxylate

4. Mfcd09840880

5. N'-(2-chloroethanimidoyl)methoxycarbohydrazide

6. 2-(2-chloro-1-iminoethyl)hydrazinecarboxylic Acid Methyl Ester

7. 1185503-26-7

8. Bcp21350

9. Hydrazinecarboxylicacid, 2-(2-chloro-1-iminoethyl)-, Methyl Ester

10. Zinc22062217

11. Sy103019

12. C3681

13. Ft-0671184

14. 3-(1-amino-2-chloroethylidene)carbazic Acid Methyl Ester

15. N'-(2-chloro-1-imino-ethyl)-hydrazinecarboxylic Acid Methyl Ester

2.3 Create Date

2009-05-28

3 Chemical and Physical Properties

Molecular Formula	C₄H₈ClN₃O₂
Molecular Weight	165.58 g/mol
XLogP3	0
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	165.0305042 g/mol
Monoisotopic Mass	165.0305042 g/mol
Topological Polar Surface Area	76.7 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	147
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently Bonded Unit Count	1

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Shanghai Minbiotech is the leading producer of biopharmaceuticals and a variety of high-end generic & innovative drugs.

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3-(Chloromethyl)-1H-1,2,4-triazol-5(4H)-one

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CAS Number

252742-72-6

End Use API

Aprepitant

About the Company

Headquartered in Fengxian District, Shanghai Minbiotch Co., Ltd. is a company specializing in the R&D ...

Headquartered in Fengxian District, Shanghai Minbiotch Co., Ltd. is a company specializing in the R&D and production of advanced pharmaceutical intermediates and biological APIs. There are more than 1000 square meters of R&D centers in Nantong, Jiangsu and Jinan, Shandong, with more than 13,000㎡ of production sites. While supplying products to customers, the company also provides services such as technology development, technology transfer and technology exchange, aiming to provide customers with comprehensive supply and solutions in the biomedical industry.