Home Halogens 3-amino-2-[(3-chloropyridin-4-yl)methyl]propan-1-ol dihydrochloride

3-amino-2-[(3-chloropyridin-4-yl)methyl]propan-1-ol dihydrochloride

CAS No.:
1803591-49-2
Catalog Number:
AG01BH0L
Molecular Formula:
C9H15Cl3N2O
Molecular Weight:
273.5872
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Product Description
Catalog Number:
AG01BH0L
Chemical Name:
3-amino-2-[(3-chloropyridin-4-yl)methyl]propan-1-ol dihydrochloride
CAS Number:
1803591-49-2
Molecular Formula:
C9H15Cl3N2O
Molecular Weight:
273.5872
MDL Number:
MFCD28139466
IUPAC Name:
2-(aminomethyl)-3-(3-chloropyridin-4-yl)propan-1-ol;dihydrochloride
InChI:
InChI=1S/C9H13ClN2O.2ClH/c10-9-5-12-2-1-8(9)3-7(4-11)6-13;;/h1-2,5,7,13H,3-4,6,11H2;2*1H
InChI Key:
KRPXRQSGMADYMX-UHFFFAOYSA-N
SMILES:
NCC(Cc1ccncc1Cl)CO.Cl.Cl
Properties
Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.025g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
273.582g/mol
Monoisotopic Mass:
272.025g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties