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115687-25-7 | 3-Pyrrolidinecarbonitrile, 4-ethyl-1-(phenylmethyl)-
CAS No: 115687-25-7 Catalog No: AG000GRB MDL No:
Product Description
Catalog Number:
AG000GRB
Chemical Name:
3-Pyrrolidinecarbonitrile, 4-ethyl-1-(phenylmethyl)-
CAS Number:
115687-25-7
Molecular Formula:
C14H18N2
Molecular Weight:
214.3061
IUPAC Name:
1-benzyl-4-ethylpyrrolidine-3-carbonitrile
InChI:
InChI=1S/C14H18N2/c1-2-13-10-16(11-14(13)8-15)9-12-6-4-3-5-7-12/h3-7,13-14H,2,9-11H2,1H3
InChI Key:
BIYUBPAZRFIARZ-UHFFFAOYSA-N
SMILES:
CCC1CN(CC1C#N)Cc1ccccc1
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.312g/mol
Monoisotopic Mass:
214.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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