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1353979-30-2 | [Methyl-(1-pyrazin-2-yl-ethyl)-amino]-acetic acid
CAS No: 1353979-30-2 Catalog No: AG01F99X MDL No:
Product Description
Catalog Number:
AG01F99X
Chemical Name:
[Methyl-(1-pyrazin-2-yl-ethyl)-amino]-acetic acid
CAS Number:
1353979-30-2
Molecular Formula:
C9H13N3O2
Molecular Weight:
195.2184
IUPAC Name:
2-[methyl(1-pyrazin-2-ylethyl)amino]acetic acid
InChI:
InChI=1S/C9H13N3O2/c1-7(12(2)6-9(13)14)8-5-10-3-4-11-8/h3-5,7H,6H2,1-2H3,(H,13,14)
InChI Key:
GMABIKNQBPYXFE-UHFFFAOYSA-N
SMILES:
CC(c1cnccn1)N(CC(=O)O)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.101g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.222g/mol
Monoisotopic Mass:
195.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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