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113841-55-7 | 1,2-Ethanediamine, N1-[1-(6-chloro-3-pyridinyl)ethyl]-
CAS No: 113841-55-7 Catalog No: AG0009U2 MDL No:
Product Description
Catalog Number:
AG0009U2
Chemical Name:
1,2-Ethanediamine, N1-[1-(6-chloro-3-pyridinyl)ethyl]-
CAS Number:
113841-55-7
Molecular Formula:
C9H14ClN3
Molecular Weight:
199.6806
IUPAC Name:
N'-[1-(6-chloropyridin-3-yl)ethyl]ethane-1,2-diamine
InChI:
InChI=1S/C9H14ClN3/c1-7(12-5-4-11)8-2-3-9(10)13-6-8/h2-3,6-7,12H,4-5,11H2,1H3
InChI Key:
UEOMIMXLRQGEHB-UHFFFAOYSA-N
SMILES:
NCCNC(c1ccc(nc1)Cl)C
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.088g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.682g/mol
Monoisotopic Mass:
199.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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