Isosulfan Blue Impurity 16

CAT: 1299-RM-I232016-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-I232016-01Size:10 mg

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CAS Number

17609-82-4

Synonyms

4- (diethylamino) phenol

Molecular Formula

C10H15NO

Molecular Weight

165.24

Target Alternative Name

Isosulfan Blue

Product Name Synonym

4- (diethylamino) phenol

Chemical Information

4-Diethylaminophenol

CAS Number	17609-82-4
PubChem CID	87185
IUPAC Name	4-(diethylamino)phenol
Molecular Formula	C10H15NO
Molecular Weight	165.23
XLogP	3
Topological Polar Surface Area	23.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	115

SMILES

CCN(CC)C1=CC=C(C=C1)O

InChI

InChI=1S/C10H15NO/c1-3-11(4-2)9-5-7-10(12)8-6-9/h5-8,12H,3-4H2,1-2H3

InChIKey

INDIALLCZKIHFF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17609-82-4

CID: 87185

Formula: C10H15NO

MW: 165.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.23
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	165.115364102
Monoisotopic Mass	165.115364102
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	115
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
AR-I04161-01	Isosulfan Blue Impurity 4
AR-I04160-01	Isosulfan Blue Impurity 3
AR-I04159-01	Isosulfan Blue Impurity 2
AR-I01913-01	Isosulfan Blue Impurity 1
AR-I04163-01	Isosulfan Blue Impurity 6
AR-I01916-01	Isosulfan Blue Impurity D
AR-I04162-01	Isosulfan Blue Impurity 5
CS-O-54773	N-Nitroso Isosulfan Blue Impurity 2
CS-O-53776	Isosulfan blue Keto N-Oxide Impurity
CS-O-54774	N-Nitroso Isosulfan Blue Impurity 4