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1155596-41-0 | 1H-Pyrazole-1-acetic acid, 4-(aminomethyl)-3,5-dimethyl-, ethyl ester
CAS No: 1155596-41-0 Catalog No: AG000G4W MDL No:MFCD12103789
Product Description
Catalog Number:
AG000G4W
Chemical Name:
1H-Pyrazole-1-acetic acid, 4-(aminomethyl)-3,5-dimethyl-, ethyl ester
CAS Number:
1155596-41-0
Molecular Formula:
C10H17N3O2
Molecular Weight:
211.2609
MDL Number:
MFCD12103789
IUPAC Name:
ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate
InChI:
InChI=1S/C10H17N3O2/c1-4-15-10(14)6-13-8(3)9(5-11)7(2)12-13/h4-6,11H2,1-3H3
InChI Key:
GLXVMRDARZIJBU-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cn1nc(c(c1C)CN)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.132g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.265g/mol
Monoisotopic Mass:
211.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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