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1353943-67-5 | [Isopropyl-(1-pyrazin-2-yl-ethyl)-amino]-acetic acid
CAS No: 1353943-67-5 Catalog No: AG01F8HF MDL No:
Product Description
Catalog Number:
AG01F8HF
Chemical Name:
[Isopropyl-(1-pyrazin-2-yl-ethyl)-amino]-acetic acid
CAS Number:
1353943-67-5
Molecular Formula:
C11H17N3O2
Molecular Weight:
223.2716
IUPAC Name:
2-[propan-2-yl(1-pyrazin-2-ylethyl)amino]acetic acid
InChI:
InChI=1S/C11H17N3O2/c1-8(2)14(7-11(15)16)9(3)10-6-12-4-5-13-10/h4-6,8-9H,7H2,1-3H3,(H,15,16)
InChI Key:
KZAKNMSMCUNMKY-UHFFFAOYSA-N
SMILES:
CC(c1nccnc1)N(C(C)C)CC(=O)O
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.132g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.276g/mol
Monoisotopic Mass:
223.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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