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88364-34-5 | 1H-Inden-1-one, octahydro-2-[(propylamino)methyl]-
CAS No: 88364-34-5 Catalog No: AG004MUZ MDL No:
Product Description
Catalog Number:
AG004MUZ
Chemical Name:
1H-Inden-1-one, octahydro-2-[(propylamino)methyl]-
CAS Number:
88364-34-5
Molecular Formula:
C13H23NO
Molecular Weight:
209.3278
IUPAC Name:
2-(propylaminomethyl)-2,3,3a,4,5,6,7,7a-octahydroinden-1-one
InChI:
InChI=1S/C13H23NO/c1-2-7-14-9-11-8-10-5-3-4-6-12(10)13(11)15/h10-12,14H,2-9H2,1H3
InChI Key:
CHDBLULYTTWBFI-UHFFFAOYSA-N
SMILES:
CCCNCC1CC2C(C1=O)CCCC2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.178g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.333g/mol
Monoisotopic Mass:
209.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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