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188774-25-6 | L-Aspartic acid, N-(2-aminoethyl)-, dimethyl ester (9CI)
CAS No: 188774-25-6 Catalog No: AG002HAR MDL No:
Product Description
Catalog Number:
AG002HAR
Chemical Name:
L-Aspartic acid, N-(2-aminoethyl)-, dimethyl ester (9CI)
CAS Number:
188774-25-6
Molecular Formula:
C8H16N2O4
Molecular Weight:
204.2236
IUPAC Name:
dimethyl (2S)-2-(2-aminoethylamino)butanedioate
InChI:
InChI=1S/C8H16N2O4/c1-13-7(11)5-6(8(12)14-2)10-4-3-9/h6,10H,3-5,9H2,1-2H3/t6-/m0/s1
InChI Key:
PYEIWBQIYDYUQW-LURJTMIESA-N
SMILES:
COC(=O)[C@@H](NCCN)CC(=O)OC
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
204.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.226g/mol
Monoisotopic Mass:
204.111g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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