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Home > Aldehydes > 824939-01-7
824939-01-7 | 1-Piperazinecarboxaldehyde, 4-[(1S,2S)-2-aminocyclohexyl]-
CAS No: 824939-01-7 Catalog No: AG004VD7 MDL No:
Product Description
Catalog Number:
AG004VD7
Chemical Name:
1-Piperazinecarboxaldehyde, 4-[(1S,2S)-2-aminocyclohexyl]-
CAS Number:
824939-01-7
Molecular Formula:
C11H21N3O
Molecular Weight:
211.3039
IUPAC Name:
4-[(1S,2S)-2-aminocyclohexyl]piperazine-1-carbaldehyde
InChI:
InChI=1S/C11H21N3O/c12-10-3-1-2-4-11(10)14-7-5-13(9-15)6-8-14/h9-11H,1-8,12H2/t10-,11-/m0/s1
InChI Key:
PQBVLYKAWDNWNX-QWRGUYRKSA-N
SMILES:
O=CN1CCN(CC1)[C@H]1CCCC[C@@H]1N
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
211.168g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.309g/mol
Monoisotopic Mass:
211.168g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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