sales@angenesci.com
Login | Register
logo
Structures Search
Home Aminos 1,3-Dimethyl 2-[(dimethylamino)methylidene]propanedioate

1,3-Dimethyl 2-[(dimethylamino)methylidene]propanedioate

CAS No.:
18856-69-4
Catalog Number:
AG002GZZ
Molecular Formula:
C8H13NO4
Molecular Weight:
187.1931
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$188
- +
5g
98%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG002GZZ
Chemical Name:
1,3-Dimethyl 2-[(dimethylamino)methylidene]propanedioate
CAS Number:
18856-69-4
Molecular Formula:
C8H13NO4
Molecular Weight:
187.1931
MDL Number:
MFCD00144979
IUPAC Name:
dimethyl 2-(dimethylaminomethylidene)propanedioate
InChI:
InChI=1S/C8H13NO4/c1-9(2)5-6(7(10)12-3)8(11)13-4/h5H,1-4H3
InChI Key:
XGBHOLSNBZBTQK-UHFFFAOYSA-N
SMILES:
COC(=O)C(=CN(C)C)C(=O)OC
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.084g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.195g/mol
Monoisotopic Mass:
187.084g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
Dimethyl 2-(amino-methyl-ene)malonate. Acta crystallographica. Section E, Structure reports online 20080601
Properties