Grundinformationen
- CAS
4104-45-4- Standard-SMILES
CSCCCN- InChIKey
KKYSBGWCYXYOHA-UHFFFAOYSA-N- Summenformel
- C4H11NS
- Durchschnittliche Molmasse
- 105,2 g/mol
- Monoisotopische Masse
- 105,06122035
Überblick
3-methylthiopropylamine is a derivative of propylamine having a methylmercapto group at the 3-position. It is an organic sulfide and a primary amino compound. It is functionally related to a 3-aminopropane-1-thiol and a propylamine. It is a conjugate base of a 3-methylthiopropylaminium.
Namen und Bezeichner
- Bevorzugter Name
- 3-(Methylthio)propylamine
- IUPAC
- 3-methylsulfanylpropan-1-amine
- Lokaler Name
- 3-Methylthiopropylamin
- Englischer Name
- 3-(Methylthio)propylamine
- Summenformel
- C4H11NS
- Molmasse
- 105.2
Namen und Synonyme
3-(Methylthio)propylamine4104-45-43-Methylthiopropylamine1-Propanamine, 3-(methylthio)-3-(methylsulfanyl)propan-1-amine3-methylsulfanylpropan-1-amine3-(methylthio)-1-propanamine1IAP0CGD5S3-Aminopropyl methyl sulfide3-(Methylmercapto)propylamineDTXSID10633001-AMINO-3-(METHYLTHIO)PROPANE
Weitere Namen anzeigen
4104-45-4 1,3-Dioxane3-(Methylmercapto)-propMethylmercaptopropylamine3-Methylthiopropylamine>3-(methylthio)-1-propanamin3-METHYLMERCAPTOPROPYLAMINE3-(Methylthio)propan-1-aMine3-METHYLTHIOPROPYLAMINE 96+%Methyl 3-aminopropyl sulfide
S-METHYLHOMOCYSTEAMINE3-(methylsulfanyl)propylamineFEMA NO. 4649CHEBI:16696RefChem:5043733-MTPADTXCID6039849223-875-2
Datenbank-Bezeichner
- CAS
4104-45-4- PubChem CID
- 77743
- DTXSID
DTXSID1063300- ChEBI
CHEBI:16696- UNII
- 1IAP0CGD5S
- EC Number
- 223-875-2
- Nikkaji
- J146.566J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,3
- Polarare Oberfläche (TPSA)
- 51,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 23,5
Experimentelle und physikochemische Eigenschaften
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.958-0.964 (20 °C)
Solubility
Practically insoluble or insoluble in water
Soluble (in ethanol)
Boiling Point96-98 °C (60 mm Hg)
Refractive Index1.489-1.495
Physical DescriptionClear slightly yellow liquid; Pungent penetrating aroma
Physikochemische Eigenschaften
- Siedepunkt
- 169 °C · 169 °C(lit.)
- Dichte
- 0.938 g/mL · 0.938 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.4940(lit.)
- FEMA
- 4649 · 4649 | 3-(METHYLTHIO)PROPYLAMINE
- Flammpunkt
- 62 °C · 62 °C
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless
- Geruch (Odor)
- 0.01 % · at 0.01 % in propylene glycol. sulfurous vegetable ripe cheesy
- Geruchsart
- sulfurous
- Wasserlöslichkeit
- Insoluble in water. Soluble in ethanol.
- JECFA Number
- 2004 · 2004
- InChI
- 1S/C4H11NS/c1-6-4-2-3-5/h2-5H2,1H3
- InChIKey
- KKYSBGWCYXYOHA-UHFFFAOYSA-N
- SMILES
- CSCCCN
- LogP
- 0.46 · 0.46
- CAS Datenbank
- 4104 · 4104-45-4(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · 1-Propanamine, 3-(methylthio)- (4104-45-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 0.7% (1 of 138) of reports.
Danger
H314 (70.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 138 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 1-Propanamine, 3-(methylthio)-
1-Propanamine, 3-(methylthio)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1C (70.3%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN2735
- hs_code
- 29309090
- risk_code
- 37/38-41
- hazard_code
- Xi,C
- safety_code
- 26-36/37/39
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information1-Propanamine, 3-(methylthio)-: ACTIVE
Anwendungen
Verwenden3-(Methylthio)propylamine can be used in the synthesis of rhodium(III)complexes involving acyclic diaminedithioether(DADTE)ligands.
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