N,N,N'-Trimethylpropan-1,3-diamin

1,3-Propanediamine, N1,N1,N3-trimethyl-

HCID 78302CAS 4543-96-8

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Grundinformationen

Standard-SMILES: CNCCCN(C)C
InChIKey: SORARJZLMNRBAQ-UHFFFAOYSA-N
Summenformel: C6H16N2
Durchschnittliche Molmasse: 116,2 g/mol
Monoisotopische Masse: 116,13134851

Namen und Bezeichner

Bevorzugter Name: 1,3-Propanediamine, N1,N1,N3-trimethyl-
IUPAC: N,N',N'-trimethylpropane-1,3-diamine
Lokaler Name: N,N,N'-Trimethylpropan-1,3-diamin
Englischer Name: N,N,N'-Trimethyl-1,3-propanediamine
Summenformel: C6H16N2
Molmasse: 116.2

Namen und Synonyme

N,N,N'-Trimethyl-1,3-propanediamineN,N,N'-Trimethylpropane-1,3-diamine1,3-Propanediamine, N1,N1,N3-trimethyl-EINECS 224-901-53-Dimethylamino-N-methylpropylamineDTXSID6063517RefChem:219531DTXCID5040415224-901-5SORARJZLMNRBAQ-UHFFFAOYSA-N4543-96-8N,N,N-Trimethyl-1,3-propanediamine

Weitere Namen anzeigen

stabilisedwithKOHN,N,N'-TRIMETHYL-1,3TRIMETHYLPROPANEDIAMINEPROPANEDIAMINENNNTRIMETHYLn,n,n’-trimethyl-3-propanediamineN N N'-TRIMETHYLTRIMETHYLENEDIAMINEN,N,N' -Trimethylpropan-1,3-diamine

1,3-Propanediamine, N,N,N'-trimethyl-N,N',N'-trimethylpropane-1,3-diamine[3-(dimethylamino)propyl](methyl)amineMFCD00014879N1,N1,N3-trimethylpropane-1,3-diamineDSL8U57NVMN1,N1,N3-Trimethyl-1,3-propanediamineNCIStruc1_000382

Datenbank-Bezeichner

CAS: 4543-96-8
PubChem CID: 78302
DTXSID: DTXSID6063517
UNII: DSL8U57NVM
EC Number: 224-901-5
Nikkaji: J25.732J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
Polarare Oberfläche (TPSA): 15,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 8
Formalladung: 0
Komplexität: 43,8

Physikochemische Eigenschaften

Schmelzpunkt: -7.15 °C · -7.15°C (estimate)
Siedepunkt: 140 · 140-142 °C(lit.)
Dichte: 0.793 g/mL · 0.793 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.4283(lit.)
Flammpunkt: 94 °F · 94 °F
storage temp.: Flammables area
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
pka: 10.61 · 10.61±0.10(Predicted)
Aggregatzustand: Liquid
Farbe: Clear colorless
Wasserlöslichkeit: Soluble in water.
Stabilität: Hygroscopic
InChI: 1S/C6H16N2/c1-7-5-4-6-8(2)3/h7H,4-6H2,1-3H3
InChIKey: SORARJZLMNRBAQ-UHFFFAOYSA-N
SMILES: CNCCCN(C)C
LogP: 0.389 · 0.389 (est)
CAS Datenbank: 4543 · 4543-96-8(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1,3-Propanediamine, N,N,N'-trimethyl- (4543-96-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, 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, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 2734 8/PG 2
hs_code: 29212900
risk_code: 10-20/21/22-34
hazard_code: C
safety_code: 16-26-36/37/39-45
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 OralFlam. Liq. 3Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1,3-Propanediamine, N1,N1,N3-trimethyl-: ACTIVE

Anwendungen

VerwendenN,N,N′-Trimethyl-1,3-propanediamine was used in preparation of unlabelled N,N,N′-trimethyl-[2-hydroxy-3-methyl-5-iodobenzyl]-1,3-propanediamine (HIDPM).