CAS 80918-66-7 | (S)-Piperidin-3-amine | CAS Number 80918-66-7

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80918-66-7 | (S)-Piperidin-3-amine

CAS No: 80918-66-7 Catalog No: AG0056XJ MDL No:MFCD03093370

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:

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

100.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

100.165g/mol

Monoisotopic Mass:

100.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

38A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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