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861965-57-3 | Pyrazine, [1-(phenylmethyl)-3-pyrrolidinyl]-
CAS No: 861965-57-3 Catalog No: AG004NK8 MDL No:
Product Description
Catalog Number:
AG004NK8
Chemical Name:
Pyrazine, [1-(phenylmethyl)-3-pyrrolidinyl]-
CAS Number:
861965-57-3
Molecular Formula:
C15H17N3
Molecular Weight:
239.3156
IUPAC Name:
2-(1-benzylpyrrolidin-3-yl)pyrazine
InChI:
InChI=1S/C15H17N3/c1-2-4-13(5-3-1)11-18-9-6-14(12-18)15-10-16-7-8-17-15/h1-5,7-8,10,14H,6,9,11-12H2
InChI Key:
AIERXDIIGHBOFY-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CCC(C1)c1cnccn1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.322g/mol
Monoisotopic Mass:
239.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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