Home Nitriles 4-[2-(pyrrolidin-1-yl)acetyl]benzonitrile hydrochloride

4-[2-(pyrrolidin-1-yl)acetyl]benzonitrile hydrochloride

CAS No.:
1909306-57-5
Catalog Number:
AG01C57A
Molecular Formula:
C13H15ClN2O
Molecular Weight:
250.7240
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Product Description
Catalog Number:
AG01C57A
Chemical Name:
4-[2-(pyrrolidin-1-yl)acetyl]benzonitrile hydrochloride
CAS Number:
1909306-57-5
Molecular Formula:
C13H15ClN2O
Molecular Weight:
250.7240
MDL Number:
MFCD29763325
IUPAC Name:
4-(2-pyrrolidin-1-ylacetyl)benzonitrile;hydrochloride
InChI:
InChI=1S/C13H14N2O.ClH/c14-9-11-3-5-12(6-4-11)13(16)10-15-7-1-2-8-15;/h3-6H,1-2,7-8,10H2;1H
InChI Key:
UGYGKAGGAROHEJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(=O)CN1CCCC1.Cl
Properties
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.087g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
250.726g/mol
Monoisotopic Mass:
250.087g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties