Neopentylamine (HCID 79882)

Namen und Bezeichner

Bevorzugter Name: Neopentylamine
IUPAC: 2,2-dimethylpropan-1-amine
Lokaler Name: Neopentylamin
Englischer Name: Neopentylamine
Summenformel: C5H13N
Molmasse: 87.16

Namen und Synonyme

Neopentylamine5813-64-92,2-Dimethyl-1-propylamineNSC-165660988C7435J3DTXSID4022232RefChem:832337DTXCID302232227-378-12,2-dimethylpropan-1-amine2,2-Dimethylpropylamine1-Propanamine, 2,2-dimethyl-

Weitere Namen anzeigen

PIVALYLAMINENeopentylamine>NEOPENTYLAMINE HCLRARECHEM AL BW 0181NeopentylaMine, 97.0%(GC&T

MFCD000081341-Amino-2,2-dimethylpropaneneo-C5H11NH22,2-dimethyl-propylaminepropane, 1-amino-2,2-dimethyl-2,2-Dimethyl-1-propanamineEINECS 227-378-1NSC 165660

Datenbank-Bezeichner

CAS: 5813-64-9
PubChem CID: 79882
DTXSID: DTXSID4022232
UNII: 988C7435J3
EC Number: 227-378-1
Nikkaji: J150.003A

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: 33

Physikochemische Eigenschaften

Schmelzpunkt: -70 °C · -70°C (estimate)
Siedepunkt: 83 °C · 83°C
Dichte: 0.745 · 0.745
Brechungsindex: 1.403 · 1.403
Flammpunkt: -13 °C · -13°C
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 10.15 · 10.15(at 25℃)
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
InChI: InChI=1S/C5H13N/c1-5(2,3)4-6/h4,6H2,1-3H3
InChIKey: XDIAMRVROCPPBK-UHFFFAOYSA-N
SMILES: C(N)C(C)(C)C
CAS Datenbank: 5813 · 5813-64-9(CAS DataBase Reference)
NIST chemische Informationen: Neopentylamine(5813-64-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.

Danger

H225 (97.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H302 (91.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (97.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P210, P233, P240, P241, P242, P243, P260, P264, P270, 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 46 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 46 reports by companies.；There are 6 notifications provided by 45 of 46 reports by companies with hazard statement code(s).；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 (97.8%)；Acute Tox. 4 (91.3%)；Skin Corr. 1B (97.8%)

Sicherheitsdaten

wgk: WGK 3
ridadr: 1106
hs_code: 29211990
risk_code: 11-20/22-35-22
hazard_code: Xn
safety_code: 3-16-23-26-36/37/39
hazard_class: 3/8
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenNeopentylamine is an organic amine compound that can be used in alkylation and alkenylation reactions. It is also used in the study of reactions of low-energy isobutylamine and neopentylamine molecular ions, where the main reaction that can transfer the neopentylamine ion is the loss of the C4H7 radical.