Triethylammonium acetate, 1M aqueous solution

CAT: 0926-FAA20474-01Size: 0.25 kgDry Ice: NoHazardous: No

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CAT#:0926-FAA20474-01Size:0.25 kg

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CAS Number

5204-74-0

MDL Number

MFCD00151725

Smiles

CCN (CC) CC.CC (=O) O

Molecular Formula

C8H19NO2

Molecular Weight

161.24 g/mol

Controlled

Chemical Information

Triethylamine acetate

CAS Number	5204-74-0
PubChem CID	165295
IUPAC Name	acetic acid;N,N-diethylethanamine
Molecular Formula	C8H19NO2
Molecular Weight	161.24
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	56

SMILES

CCN(CC)CC.CC(=O)O

InChI

InChI=1S/C6H15N.C2H4O2/c1-4-7(5-2)6-3;1-2(3)4/h4-6H2,1-3H3;1H3,(H,3,4)

InChIKey

AVBGNFCMKJOFIN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5204-74-0

CID: 165295

Formula: C8H19NO2

MW: 161.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	161.24
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	161.141578849
Monoisotopic Mass	161.141578849
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	56.7
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	2
Compound Is Canonicalized	Yes

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