Home Other Building Blocks 1-[4-(pyrimidin-5-yl)phenyl]ethan-1-amine

1-[4-(pyrimidin-5-yl)phenyl]ethan-1-amine

CAS No.:
1250290-30-2
Catalog Number:
AG019T9F
Molecular Formula:
C12H13N3
Molecular Weight:
199.2517
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Product Description
Catalog Number:
AG019T9F
Chemical Name:
1-[4-(pyrimidin-5-yl)phenyl]ethan-1-amine
CAS Number:
1250290-30-2
Molecular Formula:
C12H13N3
Molecular Weight:
199.2517
MDL Number:
MFCD16829946
IUPAC Name:
1-(4-pyrimidin-5-ylphenyl)ethanamine
InChI:
InChI=1S/C12H13N3/c1-9(13)10-2-4-11(5-3-10)12-6-14-8-15-7-12/h2-9H,13H2,1H3
InChI Key:
AEJFWHRDKIKKDQ-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)c1cncnc1)N
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.111g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.257g/mol
Monoisotopic Mass:
199.111g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties