1 2D Structure

2D Structure

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

CAS 155742-64-6