Diethanolamine

CAT: 0024-sc-211311ASize: 1 KgDry Ice: NoHazardous: No

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CAT#:0024-sc-211311ASize:1 Kg

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CAS Number

111-42-2

Chemical Information

Diethanolamine

Diethanolamine can cause cancer according to California Labor Code.

CAS Number	111-42-2
PubChem CID	8113
IUPAC Name	2-(2-hydroxyethylamino)ethanol
Molecular Formula	C4H11NO2
Molecular Weight	105.14
XLogP	-1.4
Topological Polar Surface Area	52.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	7
Formal Charge	0
Complexity	28

SMILES

C(CO)NCCO

InChI

InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2

InChIKey

ZBCBWPMODOFKDW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 111-42-2

CID: 8113

Formula: C4H11NO2

MW: 105.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	105.14
XLogP3	-1.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	105.078978594
Monoisotopic Mass	105.078978594
Topological Polar Surface Area	52.5 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	28.9
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
sc-484448	Coconut diethanolamide
sc-391628	6-Des (diethanolamino) -6-chloro Dipyridamole

Catalog	Name
40400060-2	Diethanolamine
163791	Diethanolamine-d8
RM-F190400-01	Diethanolamine Fusidate
D178000	Dansyl-diethanolamine
MBS5804202	Sulfisoxazole diethanolamine
BUP05015-01	Treprostinil diethanolamine