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1341080-79-2 | 1-(pyridin-3-ylmethyl)pyrrolidine-2-carbonitrile
CAS No: 1341080-79-2 Catalog No: AG01BJ89 MDL No:MFCD20323628
Product Description
Catalog Number:
AG01BJ89
Chemical Name:
1-(pyridin-3-ylmethyl)pyrrolidine-2-carbonitrile
CAS Number:
1341080-79-2
Molecular Formula:
C11H13N3
Molecular Weight:
187.2410
MDL Number:
MFCD20323628
IUPAC Name:
1-(pyridin-3-ylmethyl)pyrrolidine-2-carbonitrile
InChI:
InChI=1S/C11H13N3/c12-7-11-4-2-6-14(11)9-10-3-1-5-13-8-10/h1,3,5,8,11H,2,4,6,9H2
InChI Key:
SPHUZCLDWMJFNK-UHFFFAOYSA-N
SMILES:
N#CC1CCCN1Cc1cccnc1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.246g/mol
Monoisotopic Mass:
187.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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