Home Aminos 2-amino-1-(pyridin-4-yl)propane-1,3-diol dihydrochloride

2-amino-1-(pyridin-4-yl)propane-1,3-diol dihydrochloride

CAS No.:
2060037-63-8
Catalog Number:
AG01C0JH
Molecular Formula:
C8H14Cl2N2O2
Molecular Weight:
241.1150
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Product Description
Catalog Number:
AG01C0JH
Chemical Name:
2-amino-1-(pyridin-4-yl)propane-1,3-diol dihydrochloride
CAS Number:
2060037-63-8
Molecular Formula:
C8H14Cl2N2O2
Molecular Weight:
241.1150
MDL Number:
MFCD30498028
IUPAC Name:
2-amino-1-pyridin-4-ylpropane-1,3-diol;dihydrochloride
InChI:
InChI=1S/C8H12N2O2.2ClH/c9-7(5-11)8(12)6-1-3-10-4-2-6;;/h1-4,7-8,11-12H,5,9H2;2*1H
InChI Key:
YXTYEDBPTZIHLM-UHFFFAOYSA-N
SMILES:
OCC(C(c1ccncc1)O)N.Cl.Cl
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.043g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
241.112g/mol
Monoisotopic Mass:
240.043g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties