Home Aminos 1H-Pyrazole-4-aceticacid,alpha-amino-1-methyl-(9CI)

1H-Pyrazole-4-aceticacid,alpha-amino-1-methyl-(9CI)

CAS No.:
195070-68-9
Catalog Number:
AG00B2IS
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
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Product Description
Catalog Number:
AG00B2IS
Chemical Name:
1H-Pyrazole-4-aceticacid,alpha-amino-1-methyl-(9CI)
CAS Number:
195070-68-9
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
MDL Number:
MFCD11155567
IUPAC Name:
2-amino-2-(1-methylpyrazol-4-yl)acetic acid
InChI:
InChI=1S/C6H9N3O2/c1-9-3-4(2-8-9)5(7)6(10)11/h2-3,5H,7H2,1H3,(H,10,11)
InChI Key:
AVFMAEDZNWFUCD-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1cnn(c1)C)N
Properties
Complexity:
162  
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:
2  
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.4  
Properties