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850352-79-3 | Glycine, N-acetyl-, compd. with 1,2-ethanediamine (1:1)
CAS No: 850352-79-3 Catalog No: AG004ZV5 MDL No:
Product Description
Catalog Number:
AG004ZV5
Chemical Name:
Glycine, N-acetyl-, compd. with 1,2-ethanediamine (1:1)
CAS Number:
850352-79-3
Molecular Formula:
C6H15N3O3
Molecular Weight:
177.2016
IUPAC Name:
2-acetamidoacetic acid;ethane-1,2-diamine
InChI:
InChI=1S/C4H7NO3.C2H8N2/c1-3(6)5-2-4(7)8;3-1-2-4/h2H2,1H3,(H,5,6)(H,7,8);1-4H2
InChI Key:
WQBRQFDYUUJTQQ-UHFFFAOYSA-N
SMILES:
CC(=O)NCC(=O)O.NCCN
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.111g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
177.204g/mol
Monoisotopic Mass:
177.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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