Home Nitriles 4-[(4-hydroxycyclohexyl)amino]-3-methylbenzonitrile

4-[(4-hydroxycyclohexyl)amino]-3-methylbenzonitrile

CAS No.:
1178262-47-9
Catalog Number:
AG01A2UN
Molecular Formula:
C14H18N2O
Molecular Weight:
230.3055
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Product Description
Catalog Number:
AG01A2UN
Chemical Name:
4-[(4-hydroxycyclohexyl)amino]-3-methylbenzonitrile
CAS Number:
1178262-47-9
Molecular Formula:
C14H18N2O
Molecular Weight:
230.3055
MDL Number:
MFCD12872523
IUPAC Name:
4-[(4-hydroxycyclohexyl)amino]-3-methylbenzonitrile
InChI:
InChI=1S/C14H18N2O/c1-10-8-11(9-15)2-7-14(10)16-12-3-5-13(17)6-4-12/h2,7-8,12-13,16-17H,3-6H2,1H3
InChI Key:
CWHPAUPUTFBDKK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C)NC1CCC(CC1)O
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.142g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
230.311g/mol
Monoisotopic Mass:
230.142g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties