(R)-sec-Butylamin

(R)-sec-butylamine

HCID 2724537CAS 13250-12-9

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CC[C@@H](C)N
InChIKey: BHRZNVHARXXAHW-SCSAIBSYSA-N
Summenformel: C4H11N
Durchschnittliche Molmasse: 73,14 g/mol
Monoisotopische Masse: 73,08914936

Namen und Bezeichner

Bevorzugter Name: (R)-sec-butylamine
IUPAC: (2R)-butan-2-amine
Lokaler Name: (R)-sec-Butylamin
Englischer Name: (R)-(-)-2-Aminobutane
Summenformel: C4H11N
Molmasse: 73.14

Namen und Synonyme

(R)-sec-ButylamineRefChem:40744513250-12-9(R)-(-)-2-Aminobutane(2R)-butan-2-amine(R)-(-)-sec-Butylamine(R)-butan-2-amine2-Butanamine, (R)-2-Butanamine, (2R)-2-Butanamine, (2R)- (9CI)MFCD00064416(1R)-1-methylpropylamine

Weitere Namen anzeigen

(R)-N-sec-Butylamine(R)-(-)-2-Aminobutan(2R)-(-)-2-Aminobutane(R)-1-MethylpropylamineR(-)-SEC-BUTYLAMINE 99+%(R)-(-)-2-Aminobutane,98%

(r)-(-)-2-butylamine29HC5ICB6K(R)-2-Butanamine(2r)-2-butanamine(1R)-(-)-1-MethylpropylamineUNII-29HC5ICB6KEINECS 236-232-6(r)-(-)-but-2-ylamine

Datenbank-Bezeichner

CAS: 13250-12-9
PubChem CID: 2724537
DTXSID: DTXSID801367398
UNII: 29HC5ICB6K
EC Number: 236-232-6
Nikkaji: J63.100K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 5
Formalladung: 0
Komplexität: 19

Physikochemische Eigenschaften

Schmelzpunkt: -105 °C · -105°C
Siedepunkt: 63 °C · 63 °C(lit.)
Dichte: 0.72 g/mL · 0.72 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.393(lit.)
Flammpunkt: -19 °C · -19°C
storage temp.: Flammables area
pka: 10.74 · 10.74±0.10(Predicted)
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
Wasserlöslichkeit: 10 mg/L · > 10 mg/L
Merck: 14 · 14,1544
BRN: 1718760 · 1718760
InChI: 1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3/t4-/m1/s1
InChIKey: BHRZNVHARXXAHW-SCSAIBSYSA-N
SMILES: CC[C@@H](C)N
CAS Datenbank: 13250 · 13250-12-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids]；H302: Harmful if swallowed [Warning Acute toxicity, oral]；H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332: Harmful if inhaled [Warning Acute toxicity, inhalation]；H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)

Danger

Gefahrenhinweise

Hazard Classes and Categories · 3 Einträge

Flam. Liq. 2 (100%)；Acute Tox. 4 (95.7%)；Skin Corr. 1A (100%)；Acute Tox. 4 (100%)；Aquatic Acute 1 (100%)

Flammable liquid - category 2；Acute toxicity - category 4；Acute toxicity - category 4；Skin corrosion - category 1A；Hazardous to the aquatic environment (acute) - category 1

Flam. Liq. 2；Acute Tox. 4 *；Acute Tox. 4 *；Skin Corr. 1A；Aquatic Acute 1

Sicherheitsdaten

F: 10-23
wgk: 3
ridadr: UN 2733 3/PG 2
hs_code: 29211999
risk_code: 11-34-50-35-20/22
hazard_code: F,C,N,F+
safety_code: 16-26-36/37/39-45-9-61-28A-28
hazard_class: 3
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Flam. Liq. 2Skin Corr. 1A

Chemie und Industrie

Anwendungen

Verwenden(R)-(-)-2-Aminobutane is a chiral amine plays an important role in pharmaceutical chemistry and in organic synthesis as chiral auxiliary, which is used to determine the enantiomeric excess (ee).