Home Other Building Blocks 5-N,5-N-dimethylisoquinoline-5,8-diamine

5-N,5-N-dimethylisoquinoline-5,8-diamine

CAS No.:
954257-22-8
Catalog Number:
AG019UPQ
Molecular Formula:
C11H13N3
Molecular Weight:
187.2410
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Product Description
Catalog Number:
AG019UPQ
Chemical Name:
5-N,5-N-dimethylisoquinoline-5,8-diamine
CAS Number:
954257-22-8
Molecular Formula:
C11H13N3
Molecular Weight:
187.2410
MDL Number:
MFCD09739466
IUPAC Name:
5-N,5-N-dimethylisoquinoline-5,8-diamine
InChI:
InChI=1S/C11H13N3/c1-14(2)11-4-3-10(12)9-7-13-6-5-8(9)11/h3-7H,12H2,1-2H3
InChI Key:
GWQUMGOASNPGIK-UHFFFAOYSA-N
SMILES:
CN(c1ccc(c2c1ccnc2)N)C
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.111g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.246g/mol
Monoisotopic Mass:
187.111g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties