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Triisooctylamine

CAT: 0024-sc-237326Size: 100 gDry Ice: NoHazardous: No
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CAT#:0024-sc-237326Size:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
25549-16-0

Chemical Information

6,6',6''-Trimethyltriheptylamine
CAS Number25549-16-0
PubChem CID75991
IUPAC Name6-methyl-N,N-bis(6-methylheptyl)heptan-1-amine
Molecular FormulaC24H51N
Molecular Weight353.7
XLogP9.6
Topological Polar Surface Area3.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count18
Heavy Atom Count25
Formal Charge0
Complexity214
SMILES
CC(C)CCCCCN(CCCCCC(C)C)CCCCCC(C)C
InChI
InChI=1S/C24H51N/c1-22(2)16-10-7-13-19-25(20-14-8-11-17-23(3)4)21-15-9-12-18-24(5)6/h22-24H,7-21H2,1-6H3
InChIKey
YKGBNAGNNUEZQC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6,6',6''-Trimethyltriheptylamine
CAS: 25549-16-0
CID: 75991
Formula: C24H51N
MW: 353.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.7
XLogP39.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count18
Exact Mass353.402150631
Monoisotopic Mass353.402150631
Topological Polar Surface Area3.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity214
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

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