N-Methylisopropylamin

N-Methylisopropylamine

HCID 78485CAS 4747-21-1

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Grundinformationen

Standard-SMILES: CNC(C)C
InChIKey: XHFGWHUWQXTGAT-UHFFFAOYSA-N
Summenformel: C4H11N
Durchschnittliche Molmasse: 73,14 g/mol
Monoisotopische Masse: 73,08914935

Namen und Bezeichner

Bevorzugter Name: N-Methylisopropylamine
IUPAC: N-methylpropan-2-amine
Lokaler Name: N-Methylisopropylamin
Englischer Name: N-Isopropylmethylamine
Summenformel: C4H11N
Molmasse: 73.14

Namen und Synonyme

N-Isopropylmethylamine4747-21-1N-MethylisopropylamineMethylisopropylamineIsopropylmethylamine2-MethylaminopropaneN-Isopropyl-N-methylamineEthylamine, N,1-dimethyl-N-methyl-2-propanamineN-methyl-N-isopropylamineJ3OL90426Gmethyl(1-methylethyl)amine

Weitere Namen anzeigen

MIPAN-methylpropan-2-amineN-Isopropylmethylamiisopropyl-methyl-amine

NSC 1065EINECS 225-266-7N,1-DimethylethylamineNSC-1065EC 225-266-72-(METHYLAMINO)PROPANEISOPROPYLAMINE, N-METHYL-DTXSID80871098

Datenbank-Bezeichner

CAS: 4747-21-1
PubChem CID: 78485
DTXSID: DTXSID80871098
UNII: J3OL90426G
EC Number: 225-266-7
Nikkaji: J121.770D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 5
Formalladung: 0
Komplexität: 17,6

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesBoiling point

Physikochemische Eigenschaften

Schmelzpunkt: -55.1 °C · -55.1°C (estimate)
Siedepunkt: 50 · 50-53 °C (lit.)
Dichte: 0.702 g/mL · 0.702 g/mL at 25 °C (lit.)
Dampfdruck: 4.15 psi · 4.15 psi ( 20 °C)
Brechungsindex: 20 · n20/D 1.384(lit.)
Flammpunkt: 25 °F · −25 °F
storage temp.: Refrigerator, Under Inert Atmosphere
Löslichkeit: Soluble in chloroform, DMSO, methanol.
Aggregatzustand: Liquid
pka: 10.76 · 10.76±0.10(Predicted)
Wichte: 0.702 · 0.702
Farbe: Colorless
BRN: 1730877 · 1730877
Henry's Law Constant: 1.6 · 1.6×10-1 mol/(m3Pa) at 25℃, Gharagheizi et al. (2012)
Stabilität: Volatile
InChI: 1S/C4H11N/c1-4(2)5-3/h4-5H,1-3H3
InChIKey: XHFGWHUWQXTGAT-UHFFFAOYSA-N
SMILES: CNC(C)C
LogP: 0.52 at · 0.52 at 25℃
CAS Datenbank: 4747 · 4747-21-1(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Propanamine, N-methyl-(4747-21-1)

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, P280, P301+P316, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, 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 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 16-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/10466

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

Sicherheitsdaten

F: 9-23
wgk: 3
ridadr: UN 2734 8/PG 1
hs_code: 29211990
risk_code: 11-34
hazard_code: F,C
safety_code: 16-26-36/37/39-45
hazard_class: 3.1
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 2 OralAcute Tox. 3 InhalationEye Dam. 1Flam. Liq. 2Skin Corr. 1A

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenN-Isopropylmethylamine is used in the generation of in situ micelles having distinct sizes, by sequential self-assembly of a series of stimuli-responsive amphiphilic block copolymers, prepared by reversible addition-fragmentation chain transfer (RAFT) polymerization. It is suitable for use in the synthesis of novel 5-ethoxy-N,N-dialkyl-[α,α,β,β-H4]-tryptamines and their [α,α,β,β,β-D4]-counterparts following the Speeter and Anthony procedure.