Home Nitriles 1-Benzyl-3-hydroxymethyl-pyrrolidine-3-carbonitrile

1-Benzyl-3-hydroxymethyl-pyrrolidine-3-carbonitrile

CAS No.:
1350475-49-8
Catalog Number:
AG00HTV0
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$116
- +
250mg
95%
In Stock USA
United States
$208
- +
1g
95%
In Stock USA
United States
$416
- +
5g
95%
In Stock USA
United States
$1248
- +
Product Description
Catalog Number:
AG00HTV0
Chemical Name:
1-Benzyl-3-hydroxymethyl-pyrrolidine-3-carbonitrile
CAS Number:
1350475-49-8
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
MDL Number:
MFCD21362364
IUPAC Name:
1-benzyl-3-(hydroxymethyl)pyrrolidine-3-carbonitrile
InChI:
InChI=1S/C13H16N2O/c14-9-13(11-16)6-7-15(10-13)8-12-4-2-1-3-5-12/h1-5,16H,6-8,10-11H2
InChI Key:
QRYMNVQUHVGPCK-UHFFFAOYSA-N
SMILES:
OCC1(C#N)CCN(C1)Cc1ccccc1
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties