3-Cyclohexylaminopropan-1-sulfonsäure

3-(Cyclohexylamino)-1-propanesulfonic acid

HCID 70815CAS 1135-40-6

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Grundinformationen

Standard-SMILES: O=S(=O)(O)CCCNC1CCCCC1
InChIKey: PJWWRFATQTVXHA-UHFFFAOYSA-N
Summenformel: C9.H19.N.O3.S
Durchschnittliche Molmasse: 221,32 g/mol
Monoisotopische Masse: 221,10856447

Überblick

Cyclohexylaminopropanesulfonic acid is an amine.

Namen und Bezeichner

Bevorzugter Name: 3-(Cyclohexylamino)-1-propanesulfonic acid
IUPAC: 3-(cyclohexylamino)propane-1-sulfonic acid
Lokaler Name: 3-Cyclohexylaminopropan-1-sulfonsäure
Englischer Name: 3-Cyclohexylaminopropanesulfonic Acid
Summenformel: C9H19NO3S
Molmasse: 221.32

Namen und Synonyme

CAPS1135-40-63-(Cyclohexylamino)-1-propanesulfonic acid3-(cyclohexylamino)propane-1-sulfonic acid1-Propanesulfonic acid, 3-(cyclohexylamino)-3-(Cyclohexylamino)propanesulfonic acidWAS-124W981O1LXPDTXSID3061554CAPS acidRefChem:494739DTXCID1033327

Weitere Namen anzeigen

SealsCAPS3Push-on capsCAPS, ULTROLCAPS ULTRAPURECAPS, free acidCAPS Buffer salt

214-492-13-Cyclohexylaminopropanesulfonic AcidN-Cyclohexyl-3-aminopropanesulfonic acid3-CYCLOHEXYL-1-PROPYLSULFONIC ACIDC9H19NO3SMFCD000038373-Cyclohexylaminopropane-1-sulphonic acidCyclohexylaminopropanesulfonic acid

Datenbank-Bezeichner

CAS: 1135-40-6
PubChem CID: 70815
DTXSID: DTXSID3061554
ChEBI: CHEBI:191088
UNII: 4W981O1LXP
EC Number: 214-492-1
Nikkaji: J7.274E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,4
Polarare Oberfläche (TPSA): 74,8 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 5
Schwere Atome: 14
Formalladung: 0
Komplexität: 239

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Uses -> Biological Buffers

DrugsPharmaceuticals -> Listed in ZINC15

Physical DescriptionColorless solid; [Merck Index] White powder; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 300 °C · >300 °C(lit.)
Dichte: 1.1809 · 1.1809 (rough estimate)
Dampfdruck: 0 Pa · 0Pa at 25℃
Brechungsindex: 1.525 · 1.5250 (estimate)
Flammpunkt: 110 ℃ · >110℃
storage temp.: room temp
Löslichkeit: 2 O: · H2O: 0.5 M at 20 °C, clear
Aggregatzustand: Powder/Solid
Farbe: White
Geruch (Odor): Odorless
PH: 3 · 3.0-7.0 (20℃, 0.5M in H2O)
pka: 10.4 · 10.4(at 25℃)
Wasserlöslichkeit: 9 g/100 · 9 g/100 mL (20 ºC)
Merck: 14 · 14,1767
BRN: 2835588 · 2835588
Stabilität: Stable. Incompatible with strong oxidizing agents.
InChI: 1S/C9H19NO3S/c11-14(12,13)8-4-7-10-9-5-2-1-3-6-9/h9-10H,1-8H2,(H,11,12,13)
InChIKey: PJWWRFATQTVXHA-UHFFFAOYSA-N
SMILES: OS(=O)(=O)CCCNC1CCCCC1
LogP: 0.3 at · 0.3 at 25℃
CAS Datenbank: 1135 · 1135-40-6(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1-Propanesulfonic acid, 3-(cyclohexylamino)- (1135-40-6)
Absorption: 0.2 at · ≤0.2 at 260 in H2O at 0.5M≤0.2 at 280 in H2O at 0.5M

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 85.9% (67 of 78) of all reports.

Warning

H315 (11.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 78 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 20-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20235

1-Propanesulfonic acid, 3-(cyclohexylamino)-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; Toxic by ingestion; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (11.5%)

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

Sicherheitsdaten

F: 34
wgk: 3
tsca: TSCA listed
hs_code: 29213099
RTECS-Nr.: TZ6395000
risk_code: 36/38-36/37/38-22-20/21/22-40/22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-37/39-24/25-22-23-36
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

UsesUsed as a biological buffer; [Merck Index]

General Manufacturing Information1-Propanesulfonic acid, 3-(cyclohexylamino)-: ACTIVE

Anwendungen · 1 Eintrag

Beschreibung3-Cyclohexylaminopropanesulfonic Acid, also known as 3-(Cyclohexylamino)-1-propanesulfonic acid (CHAPS) or N-Cyclohexyl-3-aminopropanesulfonic acid, is a detergent with a high affinity for basic proteins that can be used to extract these proteins from biological samples and solubilize them. CHAPS is a type of ampholyte, which means it has both anionic and cationic groups.