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(S)-Piperidin-3-amine

CAS No.:
80918-66-7
Catalog Number:
AG0056XJ
Molecular Formula:
C5H12N2
Molecular Weight:
100.1622
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Product Description
Catalog Number:
AG0056XJ
Chemical Name:
(S)-Piperidin-3-amine
CAS Number:
80918-66-7
Molecular Formula:
C5H12N2
Molecular Weight:
100.1622
MDL Number:
MFCD03093370
IUPAC Name:
(3S)-piperidin-3-amine
InChI:
InChI=1S/C5H12N2/c6-5-2-1-3-7-4-5/h5,7H,1-4,6H2/t5-/m0/s1
InChI Key:
PEUGKEHLRUVPAN-YFKPBYRVSA-N
SMILES:
N[C@H]1CCCNC1
Properties
Complexity:
54  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
100.1g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
100.165g/mol
Monoisotopic Mass:
100.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Literature
Title Journal
Tricyclic pharmacophore-based molecules as novel integrin alpha(v)beta3 antagonists. Part III: synthesis of potent antagonists with alpha(v)beta3/alpha(IIb)beta3 dual activity and improved water solubility. Bioorganic & medicinal chemistry 20060401
Properties