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89479-92-5 | Piperidine, 3-ethyl-4-methyl-, trans-
CAS No: 89479-92-5 Catalog No: AG0041ML MDL No:
Product Description
Catalog Number:
AG0041ML
Chemical Name:
Piperidine, 3-ethyl-4-methyl-, trans-
CAS Number:
89479-92-5
Molecular Formula:
C8H17N
Molecular Weight:
127.2273
IUPAC Name:
3-ethyl-4-methylpiperidine
InChI:
InChI=1S/C8H17N/c1-3-8-6-9-5-4-7(8)2/h7-9H,3-6H2,1-2H3
InChI Key:
SORSGGFKUBXRQA-UHFFFAOYSA-N
SMILES:
CC[C@@H]1CNCC[C@H]1C
Properties
Complexity:
80.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.136g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.231g/mol
Monoisotopic Mass:
127.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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