Home Nitriles 4-(1-aminoethyl)-2-methylbenzonitrile

4-(1-aminoethyl)-2-methylbenzonitrile

CAS No.:
1270420-24-0
Catalog Number:
AG01A5O7
Molecular Formula:
C10H12N2
Molecular Weight:
160.2157
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Product Description
Catalog Number:
AG01A5O7
Chemical Name:
4-(1-aminoethyl)-2-methylbenzonitrile
CAS Number:
1270420-24-0
Molecular Formula:
C10H12N2
Molecular Weight:
160.2157
MDL Number:
MFCD18706389
IUPAC Name:
4-(1-aminoethyl)-2-methylbenzonitrile
InChI:
InChI=1S/C10H12N2/c1-7-5-9(8(2)12)3-4-10(7)6-11/h3-5,8H,12H2,1-2H3
InChI Key:
YMRJNHRMERBWPG-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1C)C(N)C
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.1g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.22g/mol
Monoisotopic Mass:
160.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties