Neopentylamin
Neopentylamine
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Grundinformationen
- CAS
5813-64-9- Standard-SMILES
CC(C)(C)CN- InChIKey
XDIAMRVROCPPBK-UHFFFAOYSA-N- Summenformel
- C5H13N
- Durchschnittliche Molmasse
- 87,16 g/mol
- Monoisotopische Masse
- 87,10479942
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 StruktureigenschaftenWird ergänzt
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 26 Ų
- 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
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
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
Chemie und Industrie
Anwendungen
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.
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