Home Other Building Blocks 1-(pyridin-4-yl)but-3-en-1-amine dihydrochloride

1-(pyridin-4-yl)but-3-en-1-amine dihydrochloride

CAS No.:
1311316-30-9
Catalog Number:
AG01AIL8
Molecular Formula:
C9H14Cl2N2
Molecular Weight:
221.1269
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Product Description
Catalog Number:
AG01AIL8
Chemical Name:
1-(pyridin-4-yl)but-3-en-1-amine dihydrochloride
CAS Number:
1311316-30-9
Molecular Formula:
C9H14Cl2N2
Molecular Weight:
221.1269
MDL Number:
MFCD18917309
IUPAC Name:
1-pyridin-4-ylbut-3-en-1-amine;dihydrochloride
InChI:
InChI=1S/C9H12N2.2ClH/c1-2-3-9(10)8-4-6-11-7-5-8;;/h2,4-7,9H,1,3,10H2;2*1H
InChI Key:
GSGFJLKTEYCPSR-UHFFFAOYSA-N
SMILES:
C=CCC(c1ccncc1)N.Cl.Cl
Properties
Complexity:
117  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.053g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
221.125g/mol
Monoisotopic Mass:
220.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties