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84540-27-2 | 3-[[(5-AMINO-1,3,3-TRIMETHYLCYCLOHEXYL)METHYL]AMINO]PROPIONONITRILE
CAS No: 84540-27-2 Catalog No: AG004RAK MDL No:
Product Description
Catalog Number:
AG004RAK
Chemical Name:
3-[[(5-AMINO-1,3,3-TRIMETHYLCYCLOHEXYL)METHYL]AMINO]PROPIONONITRILE
CAS Number:
84540-27-2
Molecular Formula:
C13H25N3
Molecular Weight:
223.3577
IUPAC Name:
3-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]propanenitrile
InChI:
InChI=1S/C13H25N3/c1-12(2)7-11(15)8-13(3,9-12)10-16-6-4-5-14/h11,16H,4,6-10,15H2,1-3H3
InChI Key:
DLHUIIYBGMZVLE-UHFFFAOYSA-N
SMILES:
N#CCCNCC1(C)CC(N)CC(C1)(C)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.205g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.364g/mol
Monoisotopic Mass:
223.205g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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