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302785-50-8 | Propanenitrile, 3-[(1-methyl-3-phenylpropyl)amino]-
CAS No: 302785-50-8 Catalog No: AG002ZG3 MDL No:
Product Description
Catalog Number:
AG002ZG3
Chemical Name:
Propanenitrile, 3-[(1-methyl-3-phenylpropyl)amino]-
CAS Number:
302785-50-8
Molecular Formula:
C13H18N2
Molecular Weight:
202.2954
IUPAC Name:
3-(4-phenylbutan-2-ylamino)propanenitrile
InChI:
InChI=1S/C13H18N2/c1-12(15-11-5-10-14)8-9-13-6-3-2-4-7-13/h2-4,6-7,12,15H,5,8-9,11H2,1H3
InChI Key:
ZQXYBODARBOTEP-UHFFFAOYSA-N
SMILES:
CC(NCCC#N)CCc1ccccc1
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:
1
Isotope Atom Count:
0
Molecular Weight:
202.301g/mol
Monoisotopic Mass:
202.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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