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1025509-12-9 | 3,4-Pyridinediamine, 2-chloro-N4-ethyl-
CAS No: 1025509-12-9 Catalog No: AG0007PC MDL No:MFCD02670925
Product Description
Catalog Number:
AG0007PC
Chemical Name:
3,4-Pyridinediamine, 2-chloro-N4-ethyl-
CAS Number:
1025509-12-9
Molecular Formula:
C7H10ClN3
Molecular Weight:
171.6274
MDL Number:
MFCD02670925
IUPAC Name:
2-chloro-4-N-ethylpyridine-3,4-diamine
InChI:
InChI=1S/C7H10ClN3/c1-2-10-5-3-4-11-7(8)6(5)9/h3-4H,2,9H2,1H3,(H,10,11)
InChI Key:
SSKAATGTQVWBEN-UHFFFAOYSA-N
SMILES:
CCNc1ccnc(c1N)Cl
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.056g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
171.628g/mol
Monoisotopic Mass:
171.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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