Home Nitriles Propanenitrile, 3-[(1,1,3,3-tetramethylbutyl)amino]-

Propanenitrile, 3-[(1,1,3,3-tetramethylbutyl)amino]-

CAS No.:
86375-28-2
Catalog Number:
AG004LYN
Molecular Formula:
C11H22N2
Molecular Weight:
182.3058
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Product Description
Catalog Number:
AG004LYN
Chemical Name:
Propanenitrile, 3-[(1,1,3,3-tetramethylbutyl)amino]-
CAS Number:
86375-28-2
Molecular Formula:
C11H22N2
Molecular Weight:
182.3058
MDL Number:
MFCD00060311
IUPAC Name:
3-(2,4,4-trimethylpentan-2-ylamino)propanenitrile
InChI:
InChI=1S/C11H22N2/c1-10(2,3)9-11(4,5)13-8-6-7-12/h13H,6,8-9H2,1-5H3
InChI Key:
NJRROXHFUFARLU-UHFFFAOYSA-N
SMILES:
N#CCCNC(CC(C)(C)C)(C)C
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.178g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.311g/mol
Monoisotopic Mass:
182.178g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties