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115964-47-1 | 4,5-Nonanediamine
CAS No: 115964-47-1 Catalog No: AG000H8O MDL No:
Product Description
Catalog Number:
AG000H8O
Chemical Name:
4,5-Nonanediamine
CAS Number:
115964-47-1
Molecular Formula:
C9H22N2
Molecular Weight:
158.2844
IUPAC Name:
nonane-4,5-diamine
InChI:
InChI=1S/C9H22N2/c1-3-5-7-9(11)8(10)6-4-2/h8-9H,3-7,10-11H2,1-2H3
InChI Key:
RHCFSUQTTLNNOH-UHFFFAOYSA-N
SMILES:
CCCCC(C(CCC)N)N
Properties
Complexity:
83.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.178g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.289g/mol
Monoisotopic Mass:
158.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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