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959128-85-9 | [(Pyrazin-2-ylmethyl)-amino]-acetic acid
CAS No: 959128-85-9 Catalog No: AG01FC5P MDL No:
Product Description
Catalog Number:
AG01FC5P
Chemical Name:
[(Pyrazin-2-ylmethyl)-amino]-acetic acid
CAS Number:
959128-85-9
Molecular Formula:
C7H9N3O2
Molecular Weight:
167.1653
IUPAC Name:
2-(pyrazin-2-ylmethylamino)acetic acid
InChI:
InChI=1S/C7H9N3O2/c11-7(12)5-9-4-6-3-8-1-2-10-6/h1-3,9H,4-5H2,(H,11,12)
InChI Key:
SOWAZENJYOGXNP-UHFFFAOYSA-N
SMILES:
OC(=O)CNCc1cnccn1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.168g/mol
Monoisotopic Mass:
167.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.5
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