(2S)-3,3-dimethylbutan-2-amine

HCID 7004913CAS 22526-47-2

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Grundinformationen

Standard-SMILES: C[C@H](N)C(C)(C)C
InChIKey: DXSUORGKJZADET-YFKPBYRVSA-N
Summenformel: C6H15N
Durchschnittliche Molmasse: 101,19 g/mol
Monoisotopische Masse: 101,12044948

Namen und Bezeichner

Bevorzugter Name: (2S)-3,3-dimethylbutan-2-amine
IUPAC: (2S)-3,3-dimethylbutan-2-amine
Englischer Name: (S)-(+)-3,3-Dimethyl-2-butylamine
Summenformel: C6H15N
Molmasse: 101.19

Namen und Synonyme

(2S)-3,3-dimethylbutan-2-amineRefChem:398494(+)-2-Amino-3,3-dimethylbutane627-009-822526-47-2(S)-(+)-3,3-Dimethyl-2-butylamine(S)-3,3-dimethylbutan-2-amine(S)-3,3-Dimethyl-2-butylamine(S)-3,3-Dimethyl-2-aminobutaneMFCD006716442-Butanamine, 3,3-dimethyl-, (2S)-DTXSID10426479

Weitere Namen anzeigen

(S)-(-)-3,3-DIMETHYL 2-AMINOBUTANE(S)-(+)-3,3-DiMethyl-2-butylaMine 97%(S)-(+)-3,3-Dimethyl-2-butylamine, ChiPros

AKOS015841165D83289SCHEMBL353937SCHEMBL2430204SCHEMBL15575846(S)-1,2,2-trimethylpropylamine(s)-2-amino-3,3-dimethylbutane(1S)-1,2,2-trimethylpropylamine

Datenbank-Bezeichner

CAS: 22526-47-2
PubChem CID: 7004913
DTXSID: DTXSID10426479
EC Number: 627-009-8
Nikkaji: J60.668E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 7
Formalladung: 0
Komplexität: 51

Physikochemische Eigenschaften

Schmelzpunkt: -4 °C · -4°C
Siedepunkt: 103 °C · 103°C
Dichte: 0.743 g/mL · 0.743 g/mL at 25 °C
Brechungsindex: 1.4126 · 1.4126
Flammpunkt: 2 °C · 2°C
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Slightly), DMSO (Slightly), Methanol
Aggregatzustand: Oil
pka: 10.86 · 10.86±0.13(Predicted)
Farbe: Clear Colourless
BRN: 4652328 · 4652328
InChI: 1S/C6H15N/c1-5(7)6(2,3)4/h5H,7H2,1-4H3/t5-/m0/s1
InChIKey: DXSUORGKJZADET-YFKPBYRVSA-N
SMILES: C[C@H](N)C(C)(C)C
CAS Datenbank: 22526 · 22526-47-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H412 (90.9%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

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

Aggregated GHS information provided per 44 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Acute Tox. 4 (90.9%)；Skin Corr. 1B (100%)；Aquatic Chronic 3 (90.9%)

Sicherheitsdaten

wgk: 2
ridadr: 2734
risk_code: 11-34-22-52/53
hazard_code: F,C
safety_code: 26-36/37/39-45-16-61
hazard_class: 3
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Flam. Liq. 2Skin Corr. 1B

Chemie und Industrie

Anwendungen

Verwenden(S)-(+)-3,3-Dimethyl-2-butylamine may be used in the preparation of:methyl 3′-{[(2S-3,3-dimethylbutan-2-yl]carbamoyl]-2,2′-binaphthalene-3-carboxylateN,N-(S)-bis(diphenylphosphanyl)-3,3-dimethyl-2-butylamine