Home Nitriles 4-[(2-hydroxyethyl)amino]benzonitrile

4-[(2-hydroxyethyl)amino]benzonitrile

CAS No.:
98952-77-3
Catalog Number:
AG019YQB
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
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Product Description
Catalog Number:
AG019YQB
Chemical Name:
4-[(2-hydroxyethyl)amino]benzonitrile
CAS Number:
98952-77-3
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
MDL Number:
MFCD11153541
IUPAC Name:
4-(2-hydroxyethylamino)benzonitrile
InChI:
InChI=1S/C9H10N2O/c10-7-8-1-3-9(4-2-8)11-5-6-12/h1-4,11-12H,5-6H2
InChI Key:
MWBQMSRVSRVKKX-UHFFFAOYSA-N
SMILES:
OCCNc1ccc(cc1)C#N
NSC Number:
163449
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.079g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
162.192g/mol
Monoisotopic Mass:
162.079g/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