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Home Nitriles 4-(Pyrrolidin-1-ylmethyl)benzonitrile hydrochloride

4-(Pyrrolidin-1-ylmethyl)benzonitrile hydrochloride

CAS No.:
78064-96-7
Catalog Number:
AG0055FJ
Molecular Formula:
C12H15ClN2
Molecular Weight:
222.7139
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$475
- +
10g
98%
In Stock USA
United States
$725
- +
Product Description
Catalog Number:
AG0055FJ
Chemical Name:
4-(Pyrrolidin-1-ylmethyl)benzonitrile hydrochloride
CAS Number:
78064-96-7
Molecular Formula:
C12H15ClN2
Molecular Weight:
222.7139
MDL Number:
MFCD07325398
IUPAC Name:
4-(pyrrolidin-1-ylmethyl)benzonitrile
InChI:
InChI=1S/C12H14N2/c13-9-11-3-5-12(6-4-11)10-14-7-1-2-8-14/h3-6H,1-2,7-8,10H2
InChI Key:
CURIZTVQZBYWBR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)CN1CCCC1.Cl
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.116g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.258g/mol
Monoisotopic Mass:
186.116g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties