Hexetidine impurity A

CAT: 0926-FH182257-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0926-FH182257-02Size:2 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

188655-38-1

Smiles

CCCCC (CC) CNCC1 (CN (C=N1) CC (CC) CCCC) C

Molecular Formula

C21H43N3

Molecular Weight

337.6 g/mol

Controlled

Chemical Information

2-Ethyl-N-((1-(2-ethylhexyl)-4-methyl-4,5-dihydro-1H-imidazol-4-yl)methyl)hexan-1-amine

CAS Number	188655-38-1
PubChem CID	10404830
IUPAC Name	2-ethyl-N-[[3-(2-ethylhexyl)-5-methyl-4H-imidazol-5-yl]methyl]hexan-1-amine
Molecular Formula	C21H43N3
Molecular Weight	337.6
XLogP	5.5
Topological Polar Surface Area	27.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	14
Heavy Atom Count	24
Formal Charge	0
Complexity	342

SMILES

CCCCC(CC)CNCC1(CN(C=N1)CC(CC)CCCC)C

InChI

InChI=1S/C21H43N3/c1-6-10-12-19(8-3)14-22-16-21(5)17-24(18-23-21)15-20(9-4)13-11-7-2/h18-20,22H,6-17H2,1-5H3

InChIKey

WYIXWBXIDLGTCJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 188655-38-1

CID: 10404830

Formula: C21H43N3

MW: 337.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	337.6
XLogP3	5.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	14
Exact Mass	337.345698384
Monoisotopic Mass	337.345698384
Topological Polar Surface Area	27.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	342
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-H052501-01	Hexetidine EP Impurity A
RM-H052502-01	Hexetidine EP Impurity B
RM-H052504-01	Hexetidine EP Impurity D
RM-H052503-01	Hexetidine EP Impurity C
HY-B0996-01	Hexetidine
RM-H052505-01	Hexetidine Salt
HY-B0996R-01	Hexetidine (Standard)
sc-228301	Hexetidine, mixture of stereoisomers