1,2-Dimethylpropylamine, (S)-

HCID 6999788CAS 22526-46-1

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Grundinformationen

Standard-SMILES: CC(C)[C@H](C)N
InChIKey: JOZZAIIGWFLONA-YFKPBYRVSA-N
Summenformel: C5H13N
Durchschnittliche Molmasse: 87,16 g/mol
Monoisotopische Masse: 87,10479942

Namen und Bezeichner

Bevorzugter Name: 1,2-Dimethylpropylamine, (S)-
IUPAC: (2S)-3-methylbutan-2-amine
Englischer Name: (S)-(+)-2-Amino-3-methylbutane
Summenformel: C5H13N
Molmasse: 87.16

Namen und Synonyme

22526-46-1(S)-(+)-2-Amino-3-methylbutane(S)-(+)-3-Methyl-2-butylamine(S)-3-methyl-2-butylamine(S)-3-Methylbutane-2-amine2-Butanamine, 3-methyl-, (2S)-32QJA2ZJ2A(s)-2-amino-3-methylbutane1,2-Dimethylpropylamine, (S)-3-Methyl-2-butylamine, (2S)-Propylamine, 1,2-dimethyl-, (S)-J60.644H

Weitere Namen anzeigen

(S)-3-Methylbutan-2-aMine(2S)-3-METHYLBUT-2-YLAMINE(S)-(+)-3-Methyl-2-butylamine, ChiPros(S)-(+)-3-METHYL-2-BUTYLAMINE, CHIPROS 98+%, EE 99%

DTXSID80426446RefChem:411796DTXCID60377280627-253-5(2S)-3-methylbutan-2-amineUNII-32QJA2ZJ2AMFCD01075732(S)-1,2-dimethylpropylamine

Datenbank-Bezeichner

CAS: 22526-46-1
PubChem CID: 6999788
DTXSID: DTXSID80426446
UNII: 32QJA2ZJ2A
EC Number: 627-253-5
Nikkaji: J60.644H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 6
Formalladung: 0
Komplexität: 32

Physikochemische Eigenschaften

Siedepunkt: 85 · 85-87°C
Dichte: 0.746 g/mL · 0.746 g/mL at 20 °C(lit.)
Brechungsindex: 20 · n20/D 1.405
Flammpunkt: 21 °C · <21°C
Aggregatzustand: liquid
pka: 10.8 · 10.80±0.10(Predicted)
BRN: 1718797 · 1718797
InChI: 1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3/t5-/m0/s1
InChIKey: JOZZAIIGWFLONA-YFKPBYRVSA-N
SMILES: CC(C)[C@H](C)N

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (90.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H411 (90.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 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 (100%)；Acute Tox. 4 (90.7%)；Skin Corr. 1B (100%)；Acute Tox. 4 (100%)；Aquatic Chronic 2 (90.7%)

Sicherheitsdaten

F: 10-34
wgk: 3
ridadr: UN 2733 3/PG 2
RTECS-Nr.: UI1100000
risk_code: 11-20/21/22-35-51/53-34
hazard_code: F,C,N
safety_code: 26-36/37/39-45-61
hazard_class: 3
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 2Flam. Liq. 2Skin Corr. 1B