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1,10-Diaminodecane

CAT: 0127-OR51847-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR51847-01Size:25 g
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CAS Number
646-25-3
Synonyms
Decane-1,10-diamine
MDL Number
MFCD00008151
Purity
=95%
Smiles
NCCCCCCCCCCN

Chemical Information

1,10-Decanediamine
CAS Number646-25-3
PubChem CID1317
IUPAC Namedecane-1,10-diamine
Molecular FormulaC10H24N2
Molecular Weight172.31
XLogP1.9
Topological Polar Surface Area52
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count12
Formal Charge0
Complexity64
SMILES
C(CCCCCN)CCCCN
InChI
InChI=1S/C10H24N2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-12H2
InChIKey
YQLZOAVZWJBZSY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,10-Decanediamine
CAS: 646-25-3
CID: 1317
Formula: C10H24N2
MW: 172.31
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight172.31
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass172.193948774
Monoisotopic Mass172.193948774
Topological Polar Surface Area52 Ų
Heavy Atom Count12
Formal Charge0
Complexity64.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes