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D-Diethyl-homoarginine

CAT: 0926-FD164027-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-FD164027-01Size:1 mg
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CAS Number
98500-82-4
Smiles
CCNC (=NCCCC[C@H] (C (=O) O) N) NCC
Molecular Formula
C11H24N4O2
Molecular Weight
244.3 g/mol
Controlled
No

Chemical Information

N6-(Bis(ethylamino)methylene)-D-lysine
CAS Number98500-82-4
PubChem CID11042985
IUPAC Name(2R)-2-amino-6-[bis(ethylamino)methylideneamino]hexanoic acid
Molecular FormulaC11H24N4O2
Molecular Weight244.33
XLogP-2.3
Topological Polar Surface Area99.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count17
Formal Charge0
Complexity236
SMILES
CCNC(=NCCCC[C@H](C(=O)O)N)NCC
InChI
InChI=1S/C11H24N4O2/c1-3-13-11(14-4-2)15-8-6-5-7-9(12)10(16)17/h9H,3-8,12H2,1-2H3,(H,16,17)(H2,13,14,15)/t9-/m1/s1
InChIKey
PWLYCRQCVMQUBU-SECBINFHSA-N
Chemical Structure
2D Structure
2D structure of N6-(Bis(ethylamino)methylene)-D-lysine
CAS: 98500-82-4
CID: 11042985
Formula: C11H24N4O2
MW: 244.33
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight244.33
XLogP3-2.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass244.18992602
Monoisotopic Mass244.18992602
Topological Polar Surface Area99.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity236
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes