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87751-33-5 | Quinoline-3,4-diamine
CAS No: 87751-33-5 Catalog No: AG004IE2 MDL No:MFCD00666954
Product Description
Catalog Number:
AG004IE2
Chemical Name:
Quinoline-3,4-diamine
CAS Number:
87751-33-5
Molecular Formula:
C9H9N3
Molecular Weight:
159.1879
MDL Number:
MFCD00666954
IUPAC Name:
quinoline-3,4-diamine
InChI:
InChI=1S/C9H9N3/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H,10H2,(H2,11,12)
InChI Key:
UTOMICFLROGMAE-UHFFFAOYSA-N
SMILES:
Nc1cnc2c(c1N)cccc2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.08g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
159.192g/mol
Monoisotopic Mass:
159.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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