Home Nitriles 3-[(Phenylmethyl)amino]-3-oxetanecarbonitrile

3-[(Phenylmethyl)amino]-3-oxetanecarbonitrile

CAS No.:
138650-20-1
Catalog Number:
AG0018YG
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$239
- +
5g
97%
1 week
United States
$644
- +
10g
97%
1 week
United States
$1048
- +
Product Description
Catalog Number:
AG0018YG
Chemical Name:
3-[(Phenylmethyl)amino]-3-oxetanecarbonitrile
CAS Number:
138650-20-1
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
MDL Number:
MFCD20687879
IUPAC Name:
3-(benzylamino)oxetane-3-carbonitrile
InChI:
InChI=1S/C11H12N2O/c12-7-11(8-14-9-11)13-6-10-4-2-1-3-5-10/h1-5,13H,6,8-9H2
InChI Key:
YBAZJRCFQHYLNL-UHFFFAOYSA-N
SMILES:
N#CC1(NCc2ccccc2)COC1
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties