Di-n-octylamine

CAT: 0926-BAA12048-01Size: 0.25 gDry Ice: NoHazardous: No

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CAT#:0926-BAA12048-01Size:0.25 g

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CAS Number

1120-48-5

MDL Number

MFCD00009557

Smiles

CCCCCCCCNCCCCCCCC

Molecular Formula

C16H35N

Molecular Weight

241.46 g/mol

Controlled

Chemical Information

Dioctylamine

Dioctylamine is a secondary amine in which the two alkyl substituents are specified as octyl.

CAS Number	1120-48-5
PubChem CID	3094
IUPAC Name	N-octyloctan-1-amine
Molecular Formula	C16H35N
Molecular Weight	241.46
XLogP	6.6
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	14
Heavy Atom Count	17
Formal Charge	0
Complexity	109

SMILES

CCCCCCCCNCCCCCCCC

InChI

InChI=1S/C16H35N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3

InChIKey

LAWOZCWGWDVVSG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1120-48-5

CID: 3094

Formula: C16H35N

MW: 241.46

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	241.46
XLogP3	6.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	14
Exact Mass	241.276950121
Monoisotopic Mass	241.276950121
Topological Polar Surface Area	12 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	109
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
JBA42354-01	Methyl (nitroso) octylamine
EAA06260	N, N'-Di-tert-butylethylenediamine
FN26364	N-Nitroso-di-n-butylamine
FD35782-01	N, N'-Di-sec-butylcarbodiimide
HAA43969-01	Di-N-butyl N, N-diethylcarbamoylphosphonate
FD67675-01	Di-N-tridecyl ketone
FD33354	Di-n-octyl sebacate
FF49079-01	Fmoc-di-n-butylglycine
FD44893-01	Di (N-succinimidyl) adipate
FD35999-01	Di-n-Butyl sulphate