2-Propanamine, 1-methoxy-, (2S)-

HCID 7021536

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Grundinformationen

CAS: 99636-32-5
Standard-SMILES: COC[C@H](C)N
InChIKey: NXMXETCTWNXSFG-BYPYZUCNSA-N
Summenformel: C4H11NO
Durchschnittliche Molmasse: 89,14 g/mol
Monoisotopische Masse: 89,08406397

Namen und Bezeichner

Bevorzugter Name: 2-Propanamine, 1-methoxy-, (2S)-
IUPAC: (2S)-1-methoxypropan-2-amine
Englischer Name: (S)-(+)-1-METHOXY-2-PROPYLAMINE
Summenformel: C4H11NO
Molmasse: 89.14

Namen und Synonyme

99636-32-5(S)-(+)-1-METHOXY-2-PROPYLAMINE2-Propanamine, 1-methoxy-, (2S)-DTXSID9072997RefChem:478318(-)-2-Amino-1-methoxypropaneDTXCID7049136700-220-3(2S)-1-methoxypropan-2-amine(S)-1-METHOXY-2-PROPYLAMINE(S)-1-methoxy-2-aminopropaneMFCD01075730

Weitere Namen anzeigen

, produced by BASF, 99%1-Methoxy-2-Propylamine (SMPA)

(S)-1-Methoxypropan-2-amine(2S)-1-Methoxy-2-propanamine(S)-1methoxy-2-aminopropane(1S)-2-Methoxy-1-methylethylamine(2~{S})-1-methoxypropan-2-amine(S)-(+)-1-Methoxy-2-propylamine, AldrichCPRF8881-8942(S)-2-Amino-1-methoxypropane

Datenbank-Bezeichner

CAS: 99636-32-5
PubChem CID: 7021536
DTXSID: DTXSID9072997
EC Number: 700-220-3
Nikkaji: J1.183.005F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,4
Polarare Oberfläche (TPSA): 35,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 6
Formalladung: 0
Komplexität: 30,7

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLiquid

Physikochemische Eigenschaften

Schmelzpunkt: -95 °C · -95°C
Siedepunkt: 92 · 92-94°C 68mm
Dichte: 0 · 0,844 g/cm3
Brechungsindex: 1.4044 · 1.4044
Flammpunkt: 9 °C · 9°C
storage temp.: 2 · 2-8°C, protect from light
Aggregatzustand: liquid
pka: 8.84 · 8.84±0.10(Predicted)
Wasserlöslichkeit: Fully miscible in water.
BRN: 5725728 · 5725728
InChI: InChI=1S/C4H11NO/c1-4(5)3-6-2/h4H,3,5H2,1-2H3/t4-/m0/s1
InChIKey: NXMXETCTWNXSFG-BYPYZUCNSA-N
SMILES: C(OC)[C@@H](N)C
CAS Datenbank: 99636 · 99636-32-5
EPA chemische Informationen: 2 · 2-Propanamine, 1-methoxy-, (2S)- (99636-32-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 148 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

2-Propanamine, 1-methoxy-, (2S)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanamine, 1-methoxy-, (2S)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 30-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/18343

Hazard Classes and CategoriesFlam. Liq. 2 (100%)