Home Nitriles 3-amino-1-phenylcyclobutanecarbonitrile, Mixture of diastereomers

3-amino-1-phenylcyclobutanecarbonitrile, Mixture of diastereomers

CAS No.:
1339410-40-0
Catalog Number:
AG01DSSH
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
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Product Description
Catalog Number:
AG01DSSH
Chemical Name:
3-amino-1-phenylcyclobutanecarbonitrile, Mixture of diastereomers
CAS Number:
1339410-40-0
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
MDL Number:
MFCD20440683
IUPAC Name:
3-amino-1-phenylcyclobutane-1-carbonitrile
InChI:
InChI=1S/C11H12N2/c12-8-11(6-10(13)7-11)9-4-2-1-3-5-9/h1-5,10H,6-7,13H2
InChI Key:
YQZXRJCLBUVOIV-UHFFFAOYSA-N
SMILES:
NC1CC(C1)(C#N)c1ccccc1
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.1g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.231g/mol
Monoisotopic Mass:
172.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties