200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 114373-05-6
114373-05-6 | 3-Pyrrolidinecarbonitrile, 3-methyl-1-(phenylmethyl)-
CAS No: 114373-05-6 Catalog No: AG000B72 MDL No:MFCD05662778
Product Description
Catalog Number:
AG000B72
Chemical Name:
3-Pyrrolidinecarbonitrile, 3-methyl-1-(phenylmethyl)-
CAS Number:
114373-05-6
Molecular Formula:
C13H16N2
Molecular Weight:
200.2795
MDL Number:
MFCD05662778
IUPAC Name:
1-benzyl-3-methylpyrrolidine-3-carbonitrile
InChI:
InChI=1S/C13H16N2/c1-13(10-14)7-8-15(11-13)9-12-5-3-2-4-6-12/h2-6H,7-9,11H2,1H3
InChI Key:
XJOKIRNPOIKWNQ-UHFFFAOYSA-N
SMILES:
N#CC1(C)CCN(C1)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:
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
© 2019 Angene International Limited. All rights Reserved.