Home Nitriles 1-[(2-hydroxyethyl)amino]cyclohexane-1-carbonitrile

1-[(2-hydroxyethyl)amino]cyclohexane-1-carbonitrile

CAS No.:
54961-36-3
Catalog Number:
AG01AFK2
Molecular Formula:
C9H16N2O
Molecular Weight:
168.2361
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Product Description
Catalog Number:
AG01AFK2
Chemical Name:
1-[(2-hydroxyethyl)amino]cyclohexane-1-carbonitrile
CAS Number:
54961-36-3
Molecular Formula:
C9H16N2O
Molecular Weight:
168.2361
MDL Number:
MFCD00506673
IUPAC Name:
1-(2-hydroxyethylamino)cyclohexane-1-carbonitrile
InChI:
InChI=1S/C9H16N2O/c10-8-9(11-6-7-12)4-2-1-3-5-9/h11-12H,1-7H2
InChI Key:
ZXKYYQPKEBFPCU-UHFFFAOYSA-N
SMILES:
OCCNC1(CCCCC1)C#N
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.126g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
168.24g/mol
Monoisotopic Mass:
168.126g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties