Camphor benzalkonium methosulfate

CAT: 0572-TRC-C173140-100MGSize: 100 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-C173140-100MGSize:100 mg

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CAS Number

52793-97-2

Synonyms

(9CI)-N,N,N-trimethyl-4-[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-2-ylidene)methyl] Methyl Sulfate Benzenaminium; 3-(4-Trimethylammonium)benzylidenebornan-2-one methosulfate 4-[(2-Oxo-3-bornylidene)methyl]phenyltrimethylammonium Methyl Sulfate; Mexoryl SO; [3-(Trimethylammonio)benzylidene]bornan-2-one Methyl Sulfate

Hazard Statement

Causes skin irritation.

Purity

>95% (HPLC)

Smiles

O=C1[C@@]2(C)CC[C@H](C2(C)C)/C1=C/C3=CC=C([N+](C)(C)C)C=C3.[O-]S(=O)(OC)=O

Molecular Formula

C20H28NO • CH3O4S

Molecular Weight

298.441111

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

4-((2-Oxo-3-bornylidene)methyl)-phenyltrimethylammonium methylsulfate

structure given in first source

CAS Number	52793-97-2
PubChem CID	6434451
IUPAC Name	methanesulfonate;trimethyl-[4-[(Z)-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)methyl]phenyl]azanium
Molecular Formula	C21H31NO4S
Molecular Weight	393.5
Topological Polar Surface Area	82.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	27
Formal Charge	0
Complexity	582

SMILES

CC1(C\2CCC1(C(=O)/C2=C\C3=CC=C(C=C3)[N+](C)(C)C)C)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C20H28NO.CH4O3S/c1-19(2)17-11-12-20(19,3)18(22)16(17)13-14-7-9-15(10-8-14)21(4,5)6;1-5(2,3)4/h7-10,13,17H,11-12H2,1-6H3;1H3,(H,2,3,4)/q+1;/p-1/b16-13-;

InChIKey

BPDGKTMMBDRVHQ-UNVLYCKESA-M

Chemical Structure

2D Structure

CAS: 52793-97-2

CID: 6434451

Formula: C21H31NO4S

MW: 393.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	393.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	393.19737964
Monoisotopic Mass	393.19737964
Topological Polar Surface Area	82.7 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	582
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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TRC-B183553-2.5G	Benzalkonium Chloride
TRC-C165805-100G	(±)-Camphor
TRC-P295385-500MG	Phenazine Methosulfate
TRC-B183550-2.5G	Benzalkonium Chloride
TRC-B183553-500MG	Benzalkonium Chloride
TRC-B183550-10G	Benzalkonium Chloride

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Catalog	Name
RM-B261105-01	Camphor Benzalkonium Methosulfate
41600072-4	Phenazine Methosulfate
HY-180382	Trimethidinium (methosulfate)
447319-01	Diphemanil Methosulfate
CS-T-10091	(Â±) -Camphor
GTR19171317	Camphor

Camphor benzalkonium methosulfate

Chemical Information

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