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1353987-10-6 | Isopropyl-(3-methylsulfanyl-pyrazin-2-ylmethyl)-amine
CAS No: 1353987-10-6 Catalog No: AG01F89K MDL No:
Product Description
Catalog Number:
AG01F89K
Chemical Name:
Isopropyl-(3-methylsulfanyl-pyrazin-2-ylmethyl)-amine
CAS Number:
1353987-10-6
Molecular Formula:
C9H15N3S
Molecular Weight:
197.3005
IUPAC Name:
N-[(3-methylsulfanylpyrazin-2-yl)methyl]propan-2-amine
InChI:
InChI=1S/C9H15N3S/c1-7(2)12-6-8-9(13-3)11-5-4-10-8/h4-5,7,12H,6H2,1-3H3
InChI Key:
KNWDBODODFPBGJ-UHFFFAOYSA-N
SMILES:
CSc1nccnc1CNC(C)C
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.3g/mol
Monoisotopic Mass:
197.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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