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21190-16-9 | Ethyl 4-amino-1H-imidazole-5-carboxylate
CAS No: 21190-16-9 Catalog No: AG00385Q MDL No:MFCD06858453
Product Description
Catalog Number:
AG00385Q
Chemical Name:
Ethyl 4-amino-1H-imidazole-5-carboxylate
CAS Number:
21190-16-9
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
MDL Number:
MFCD06858453
IUPAC Name:
ethyl 4-amino-1H-imidazole-5-carboxylate
InChI:
InChI=1S/C6H9N3O2/c1-2-11-6(10)4-5(7)9-3-8-4/h3H,2,7H2,1H3,(H,8,9)
InChI Key:
NJMORFFDAXJHHM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(N)nc[nH]1
NSC Number:
382775
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
155.157g/mol
Monoisotopic Mass:
155.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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