N,N'-Bis(3-aminopropyl)propan-1,3-diamin

Norspermine

HCID 78350CAS 4605-14-5

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Grundinformationen

Standard-SMILES: NCCCNCCCNCCCN
InChIKey: ZAXCZCOUDLENMH-UHFFFAOYSA-N
Summenformel: C9H24N4
Durchschnittliche Molmasse: 188,31 g/mol
Monoisotopische Masse: 188,20009677

Überblick

3,3,3-tetramine is a polyazaalkane consisting of a 13-membered straight chain alkane with aza-groups at the 1-, 5-, 9- and 13-positions. It is a tetramine and a polyazaalkane. It is a conjugate base of a 3,3,3-tetraminium(4+).

Namen und Bezeichner

Bevorzugter Name: Norspermine
IUPAC: N'-[3-(3-aminopropylamino)propyl]propane-1,3-diamine
Lokaler Name: N,N'-Bis(3-aminopropyl)propan-1,3-diamin
Englischer Name: N,N'-Bis(3-aminopropyl)-1,3-propanediamine
Summenformel: C9H24N4
Molmasse: 188.31

Namen und Synonyme

4605-14-5NorspermineN,N'-Bis(3-aminopropyl)-1,3-propanediamine3,3,3-tetramineN,N'-Bis(3-aminopropyl)propane-1,3-diamine1,5,9,13-TetraazatridecaneN'-[3-(3-aminopropylamino)propyl]propane-1,3-diamine1,11-diamino-4,8-diazaundecaneDTXSID4063533CHEBI:45718N,N'-Bis[3-aminopropyl]-1,3-propanediamineN'-(3-(3-aminopropylamino)propyl)propane-1,3-diamine

Weitere Namen anzeigen

Serminesym-NorspermineTripropylenetetramineTripropylenetetraminesNorspermine, 10 mM in DMSO1,5,9,13-Tetraazatridecane,min.97%

RefChem:854752DTXCID4040470225-007-8THERMINE1,3-Propanediamine, N,N'-bis(3-aminopropyl)-N1,N1'-(Propane-1,3-diyl)bis(propane-1,3-diamine)MFCD00008213AI3-61617

Datenbank-Bezeichner

CAS: 4605-14-5
PubChem CID: 78350
DTXSID: DTXSID4063533
ChEMBL: CHEMBL1275961、CHEMBL91193
ChEBI: CHEBI:45718
EC Number: 225-007-8
Nikkaji: J265.525J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,4
Polarare Oberfläche (TPSA): 76,1 Å²
H-Brücken-Donoren: 4
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 10
Schwere Atome: 13
Formalladung: 0
Komplexität: 77,7

Physikochemische Eigenschaften

Siedepunkt: 98 · 98-103 °C1 mm Hg(lit.)
Dichte: 0.92 g/mL · 0.92 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.491(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · 2-8°C, protect from light
Aggregatzustand: Liquid
pka: 10.54 · 10.54±0.19(Predicted)
Farbe: Clear slightly yellow
InChI: 1S/C9H24N4/c10-4-1-6-12-8-3-9-13-7-2-5-11/h12-13H,1-11H2
InChIKey: ZAXCZCOUDLENMH-UHFFFAOYSA-N
SMILES: NCCCNCCCNCCCN
CAS Datenbank: 4605 · 4605-14-5(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1,3-Propanediamine, N,N'-bis(3-aminopropyl)- (4605-14-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (79.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P262, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 218 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 26-08-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29872

1,3-Propanediamine, N,N'-bis(3-aminopropyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (79.8%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 2735 8/PG 2
hs_code: 29212900
risk_code: 34
hazard_code: C
safety_code: 26-27-28-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Dam. 1Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1,3-Propanediamine, N1,N3-bis(3-aminopropyl)-: ACTIVE

Anwendungen

VerwendenN,N′-Bis(3-aminopropyl)-1,3-propanediamine (bappn) may be used in the preparation of [Ni(bappn)(ttcH)]·5H2O complex (ttch= trithiocyanurate dianion).