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89690-07-3 | Butanenitrile, 4-[(phenylmethyl)propylamino]-
CAS No: 89690-07-3 Catalog No: AG0044B2 MDL No:
Product Description
Catalog Number:
AG0044B2
Chemical Name:
Butanenitrile, 4-[(phenylmethyl)propylamino]-
CAS Number:
89690-07-3
Molecular Formula:
C14H20N2
Molecular Weight:
216.3220
IUPAC Name:
4-[benzyl(propyl)amino]butanenitrile
InChI:
InChI=1S/C14H20N2/c1-2-11-16(12-7-6-10-15)13-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,11-13H2,1H3
InChI Key:
QZKIDNOSHCMZQC-UHFFFAOYSA-N
SMILES:
CCCN(Cc1ccccc1)CCCC#N
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.163g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.328g/mol
Monoisotopic Mass:
216.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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