Nonamethylendiamin

Nonamethylenediamine

HCID 69534

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Grundinformationen

CAS: 646-24-2
Standard-SMILES: NCCCCCCCCCN
InChIKey: SXJVFQLYZSNZBT-UHFFFAOYSA-N
Summenformel: C9H22N2
Durchschnittliche Molmasse: 158,28 g/mol
Monoisotopische Masse: 158,1782987

Namen und Bezeichner

Bevorzugter Name: Nonamethylenediamine
IUPAC: nonane-1,9-diamine
Lokaler Name: Nonamethylendiamin
Englischer Name: 1,9-DIAMINONONANE
Summenformel: C9H22N2
Molmasse: 158.28

Namen und Synonyme

1,9-Diaminononane646-24-21,9-NonanediamineNonamethylenediamineEINECS 211-470-3DTXSID20214849EC 211-470-3RefChem:854469DTXCID00137340211-470-3nonane-1,9-diamineMFCD00008251

Weitere Namen anzeigen

1,9-Diaminononane,98%DiaminononaneRARECHEM AL BW 00861,9-Diaminononane 98%1,9-DiaMinononane, 98% 5GR

1,9-Nonamethylenediamine1,9-Diaminonane1.9-diaminononane1,9-Diaminononane, 98%6E9TQ6WXV6SCHEMBL36338CHEMBL572025orb3176557

Datenbank-Bezeichner

CAS: 646-24-2
PubChem CID: 69534
DTXSID: DTXSID20214849
ChEMBL: CHEMBL572025
UNII: 6E9TQ6WXV6
EC Number: 211-470-3
Nikkaji: J149.316G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 52 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 8
Schwere Atome: 11
Formalladung: 0
Komplexität: 56,6

Experimentelle und physikochemische Eigenschaften

Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)

Physikochemische Eigenschaften

Schmelzpunkt: 35 · 35-37 °C(lit.)
Siedepunkt: 258 · 258-259 °C756 mm Hg(lit.)
Dichte: 0.8215 · 0.8215 (estimate)
Dampfdruck: 0.37 Pa · 0.37Pa at 25℃
Brechungsindex: 1.4686 · 1.4686 (estimate)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: low melting solid
pka: 10.97 · 10.97±0.10(Predicted)
Wasserlöslichkeit: Soluble in water.
BRN: 1737533 · 1737533
InChI: InChI=1S/C9H22N2/c10-8-6-4-2-1-3-5-7-9-11/h1-11H2
InChIKey: SXJVFQLYZSNZBT-UHFFFAOYSA-N
SMILES: C(N)CCCCCCCCN
LogP: 1.3 at · 1.3 at 23℃
CAS Datenbank: 646 · 646-24-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (72.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 154 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 10-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10159

1,9-Diaminononane: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (72.1%)

Sicherheitsdaten

F: 10-21
wgk: 3
ridadr: UN 3259 8/PG 2
hs_code: 29212900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 4Eye Dam. 1Skin Corr. 1ASkin Sens. 1

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1,9-Diaminononane is used as an organic intermediate. It is also used to detect spermine and spermidine by matrix-assisted laser desorption/ionization combined with time-of-flight mass spectrometry ( MALDI-TOF MS) in foods and for the identification of apoptosis-related proteins by nano-flow ultra-performance liquid chromatography tandem mass-spectrometry (UPLC-MS/MS) after treatment with spermine and spermidine.