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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CAS Number

155742-64-6

End Use API

Aprepitant

About the Company

Mehta API Pvt Ltd engaged in manufacturing and marketing of APIs & Advance Drug Intermediates.... Globall...

Mehta API Pvt Ltd engaged in manufacturing and marketing of APIs & Advance Drug Intermediates.... Globally. Mehta Api has been inordinately proud of its achievements since its inception .Our journey is paved with many success stories. Much of it has, in many ways, been unprecedented in the Pharma industry. Our success has been validated by what we hold the dearest - Product Excellence and Customer service. We believe that long-term business success is rooted in value. Business ethics are good business; they are like a long-term insurance policy. We are committed to Excellence in Product Quality and adherence to stringent delivery schedule.

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