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61852-40-2 | 3-(Butyl(phenyl);amino);propanenitrile
CAS No: 61852-40-2 Catalog No: AG003BA8 MDL No:MFCD00019863
Product Description
Catalog Number:
AG003BA8
Chemical Name:
3-(Butyl(phenyl);amino);propanenitrile
CAS Number:
61852-40-2
Molecular Formula:
C13H18N2
Molecular Weight:
202.2954
MDL Number:
MFCD00019863
IUPAC Name:
3-(N-butylanilino)propanenitrile
InChI:
InChI=1S/C13H18N2/c1-2-3-11-15(12-7-10-14)13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,11-12H2,1H3
InChI Key:
KMGZOJSHGRNXOC-UHFFFAOYSA-N
SMILES:
CCCCN(c1ccccc1)CCC#N
EC Number:
263-275-8
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.301g/mol
Monoisotopic Mass:
202.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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