ethyl(methyl)carbamoyl chloride

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Also known as: 42252-34-6, Ethylmethyl-carbamic chloride, Ethyl(methyl)carbamic chloride, N-ethyl-n-methylcarbamoylchloride, Ethylmethyl-carbamicchloride, N-ethyl-n-methyl carbamoyl chloride

Molecular Formula

C₄H₈ClNO

Molecular Weight

121.56 g/mol

InChI Key

XZVYDRLPXWFRIS-UHFFFAOYSA-N

1 2D Structure

CAS 42252-34-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-ethyl-N-methylcarbamoyl chloride

2.1.2 InChI

InChI=1S/C4H8ClNO/c1-3-6(2)4(5)7/h3H2,1-2H3

2.1.3 InChI Key

XZVYDRLPXWFRIS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCN(C)C(=O)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 42252-34-6

2. Ethylmethyl-carbamic Chloride

3. Ethyl(methyl)carbamic Chloride

4. N-ethyl-n-methylcarbamoylchloride

5. Ethylmethyl-carbamicchloride

6. N-ethyl-n-methyl Carbamoyl Chloride

7. N-ethyl-n-methyl Carbamoylchloride

8. N-ethyl-n-methylcarbamonyl Chloride

9. N-ethyl-n-methyl-carbamoyl Chloride

10. Carbamic Chloride, Ethylmethyl-

11. Ethylmethylcarbamic Chloride

12. Ethyl Methylcarbamic Chloride

13. Ethylmethyl Carbamyl Chloride

14. Schembl414542

15. Ethyl(methyl)carbamoyl Chloride

16. Dtxsid60459696

17. Act08763

18. Bcp27350

19. Mfcd08061404

20. Zinc21992762

21. Akos006285962

22. Mb05193

23. N-ethyl-n-methylcarbamoyl Chloride+b31

24. As-12359

25. Db-013277

26. Am20090787

27. Carbamic Chloride, N-ethyl-n-methyl-

28. Cs-0198150

29. E0963

30. Ft-0649367

31. F20387

32. 252e346

33. Q-101326

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₄H₈ClNO
Molecular Weight	121.56 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	121.0294416 g/mol
Monoisotopic Mass	121.0294416 g/mol
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	74.1
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	1