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115687-24-6 | 3-Pyrrolidinecarbonitrile, 4-methyl-1-(phenylmethyl)-
CAS No: 115687-24-6 Catalog No: AG000GRC MDL No:MFCD05662779
Product Description
Catalog Number:
AG000GRC
Chemical Name:
3-Pyrrolidinecarbonitrile, 4-methyl-1-(phenylmethyl)-
CAS Number:
115687-24-6
Molecular Formula:
C13H16N2
Molecular Weight:
200.2795
MDL Number:
MFCD05662779
IUPAC Name:
1-benzyl-4-methylpyrrolidine-3-carbonitrile
InChI:
InChI=1S/C13H16N2/c1-11-8-15(10-13(11)7-14)9-12-5-3-2-4-6-12/h2-6,11,13H,8-10H2,1H3
InChI Key:
SNGFETKZDQWILI-UHFFFAOYSA-N
SMILES:
N#CC1CN(CC1C)Cc1ccccc1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.285g/mol
Monoisotopic Mass:
200.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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