2,2-Dimethylpropan-1,3-diamin

2,2-Dimethyl-1,3-propanediamine

HCID 81770CAS 7328-91-8

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Grundinformationen

Standard-SMILES: CC(C)(CN)CN
InChIKey: DDHUNHGZUHZNKB-UHFFFAOYSA-N
Summenformel: C5H14N2
Durchschnittliche Molmasse: 102,18 g/mol
Monoisotopische Masse: 102,11569845

Namen und Bezeichner

Bevorzugter Name: 2,2-Dimethyl-1,3-propanediamine
IUPAC: 2,2-dimethylpropane-1,3-diamine
Lokaler Name: 2,2-Dimethylpropan-1,3-diamin
Englischer Name: 2,2-DIMETHYL-1,3-PROPANEDIAMINE
Summenformel: C5H14N2
Molmasse: 102.18

Namen und Synonyme

2,2-Dimethylpropane-1,3-diamine7328-91-82,2-Dimethyl-1,3-propanediamine1,3-Propanediamine, 2,2-dimethyl-G6M3PC2JB8NSC-17719EINECS 230-819-0NSC 17719AI3-28052DTXSID0064628NEOPENTYLDIAMINE; 1,3-PROPANEDIAMINE, 2,2-DIMETHYL-RefChem:441234

Weitere Namen anzeigen

NEOPENTANEDIAMINE2,2-DIMETHYLPROPYLENEDIAMINENeopentadiamineRARECHEM AL BW 2308Neopentylenediamine2,2-DIMETHYL-1,3-PRODimethylpropanediamine2,2-Dimethylpropan-1,3-diamin2,2-dimethyl-3-propanediamine

DTXCID3047504230-819-0Neopentyldiamine1,3-Diamino-2,2-dimethylpropaneNSC17719MFCD000098012,2-Dimethyltrimethylenediamine1,2-Diamino-2,2-dimethylpropane

Datenbank-Bezeichner

CAS: 7328-91-8
PubChem CID: 81770
DTXSID: DTXSID0064628
ChEMBL: CHEMBL369230
UNII: G6M3PC2JB8
EC Number: 230-819-0
Nikkaji: J149.688C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,5
Polarare Oberfläche (TPSA): 52 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 7
Formalladung: 0
Komplexität: 44

Experimentelle und physikochemische Eigenschaften

Physical DescriptionOther Solid

Physikochemische Eigenschaften

Schmelzpunkt: 29 · 29-31 °C(lit.)
Siedepunkt: 152 · 152-154 °C(lit.)
Dichte: 0.851 g/mL · 0.851 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.4566(lit.)
Flammpunkt: 117 °F · 117 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: Low Melting Solid
pka: 10.55 · 10.55±0.15(Predicted)
Farbe: Colorless
PH: 11.2 · 11.2 (10.1g/l, H2O, 20℃)
Explosionsgrenze: 1.4 · 1.4-8.7%(V)
InChI: InChI=1S/C5H14N2/c1-5(2,3-6)4-7/h3-4,6-7H2,1-2H3
InChIKey: DDHUNHGZUHZNKB-UHFFFAOYSA-N
SMILES: C(N)C(C)(C)CN
CAS Datenbank: 7328 · 7328-91-8(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1,3-Propanediamine, 2,2-dimethyl- (7328-91-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (25.5%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 153 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: 1,3-Propanediamine, 2,2-dimethyl-

1,3-Propanediamine, 2,2-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediamine, 2,2-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 18-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/22090

2,2-Dimethylpropylenediamine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (25.5%)

Sicherheitsdaten

wgk: 1
tsca: TSCA listed
ridadr: UN 2921 8/PG 2
hs_code: 29212900
risk_code: 10-34
hazard_code: C
hazard_note: Corrosive
safety_code: 16-26-27-36/37/39-45
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1Met. Corr. 1Skin Corr. 1BSkin Sens. 1