Pivmecillinam Impurity 20

CAT: 1299-RM-P092320-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P092320-01Size:10 mg

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CAS Number

32895-16-2

Synonyms

1- (dimethoxymethyl) azepane

Molecular Formula

C9H19NO2

Molecular Weight

173.26

Target Alternative Name

Pivmecillinam

Chemical Information

1-(Dimethoxymethyl)hexahydro-1H-azepine

CAS Number	32895-16-2
PubChem CID	118352
IUPAC Name	1-(dimethoxymethyl)azepane
Molecular Formula	C9H19NO2
Molecular Weight	173.25
XLogP	1.4
Topological Polar Surface Area	21.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	107

SMILES

COC(N1CCCCCC1)OC

InChI

InChI=1S/C9H19NO2/c1-11-9(12-2)10-7-5-3-4-6-8-10/h9H,3-8H2,1-2H3

InChIKey

LNCAEXDPLKQRAU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 32895-16-2

CID: 118352

Formula: C9H19NO2

MW: 173.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	173.25
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	173.141578849
Monoisotopic Mass	173.141578849
Topological Polar Surface Area	21.7 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	107
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-P31981-01	Pivmecillinam EP Impurity A
AR-P31978-01	Pivmecillinam EP Impurity B
AR-P31979-01	Pivmecillinam Impurity 1 HCl
AR-M01149-01	Pivmecillinam EP Impurity C
AR-P31980-01	Pivmecillinam EP Impurity C HCl ((2R,4S) -Isomer)
MBS5779587	Pivmecillinam
CS-O-53018	Pivmecillinam-d9
P141-100MG	Pivmecillinam Hydrochloride