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13858-50-9 | Butanenitrile, 4-[bis(1-methylethyl)amino]-
CAS No: 13858-50-9 Catalog No: AG0018SF MDL No:MFCD00026377
Product Description
Catalog Number:
AG0018SF
Chemical Name:
Butanenitrile, 4-[bis(1-methylethyl)amino]-
CAS Number:
13858-50-9
Molecular Formula:
C10H20N2
Molecular Weight:
168.2792
MDL Number:
MFCD00026377
IUPAC Name:
4-[di(propan-2-yl)amino]butanenitrile
InChI:
InChI=1S/C10H20N2/c1-9(2)12(10(3)4)8-6-5-7-11/h9-10H,5-6,8H2,1-4H3
InChI Key:
SWVUWKUFMMUEDC-UHFFFAOYSA-N
SMILES:
N#CCCCN(C(C)C)C(C)C
EC Number:
237-593-2
NSC Number:
76610
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.163g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.284g/mol
Monoisotopic Mass:
168.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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