Home Other Building Blocks rac-(2R,5R)-5-ethyl-2-methylpiperidine, trans

rac-(2R,5R)-5-ethyl-2-methylpiperidine, trans

CAS No.:
58310-07-9
Catalog Number:
AG01B2IG
Molecular Formula:
C8H17N
Molecular Weight:
127.2273
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Product Description
Catalog Number:
AG01B2IG
Chemical Name:
rac-(2R,5R)-5-ethyl-2-methylpiperidine, trans
CAS Number:
58310-07-9
Molecular Formula:
C8H17N
Molecular Weight:
127.2273
MDL Number:
MFCD30181793
IUPAC Name:
(2S,5S)-5-ethyl-2-methylpiperidine
InChI:
InChI=1S/C8H17N/c1-3-8-5-4-7(2)9-6-8/h7-9H,3-6H2,1-2H3/t7-,8-/m0/s1
InChI Key:
XOFNHZHCGBPVGJ-YUMQZZPRSA-N
SMILES:
CC[C@@H]1CC[C@H](NC1)C
Properties
Complexity:
80.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties