Adamantane-1,3-diamine

HCID 213512CAS 10303-95-4

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Grundinformationen

Standard-SMILES: NC12CC3CC(C1)CC(N)(C3)C2
InChIKey: FOLJMFFBEKONJP-UHFFFAOYSA-N
Summenformel: C10H18N2
Durchschnittliche Molmasse: 166,26 g/mol
Monoisotopische Masse: 166,14699858

Namen und Bezeichner

Bevorzugter Name: Adamantane-1,3-diamine
IUPAC: adamantane-1,3-diamine
Englischer Name: 1,3-Adamantanediamine
Summenformel: C10H18N2
Molmasse: 166.26

Namen und Synonyme

Adamantane-1,3-diamine1,3-DiaminoadamantaneTricyclo[3.3.1.13,7]decane-1,3-diamineDTXSID90276893Tricyclo(3.3.1.13,7)decane-1,3-diamineRefChem:109633DTXCID90202091835-523-0FOLJMFFBEKONJP-UHFFFAOYSA-N10303-95-41,3-AdamantanediamineMFCD01831403

Weitere Namen anzeigen

13AD1, 3-Amantadane Diamine4. 1,3-diaminoadamantaneAdamantan-1,3-diyldiaminAdamantane-1,3-diamine,≥98%10303-95-4 1,3-Adamantanediamine1,3-Adamantanediaminewith2HClsaltBenzeneethanol,5-amino-β,β-dimethyl-

SCHEMBL510762SCHEMBL12130587AKOS006280188BS-43833EN300-297432T70028tricyclo[3.3.1.1~3,7~]decane-1,3-diamineSR-01000400481

Datenbank-Bezeichner

CAS: 10303-95-4
PubChem CID: 213512
DTXSID: DTXSID90276893
EC Number: 835-523-0
Nikkaji: J511.428D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 52 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 190

Physikochemische Eigenschaften

Siedepunkt: 249 °C · 249 °C
Dichte: 1.153 · 1.153
Flammpunkt: 122 °C · 122 °C
storage temp.: 2 · 2-8°C, protect from light
pka: 10.73 · 10.73±0.40(Predicted)
Aggregatzustand: powder to crystal
Farbe: White to Almost white
InChI: InChI=1S/C10H18N2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8H,1-6,11-12H2
InChIKey: FOLJMFFBEKONJP-UHFFFAOYSA-N
SMILES: C12(N)CC3CC(CC(N)(C3)C1)C2
CAS Datenbank: 10303 · 10303-95-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Sicherheitsdaten

hs_code: 2921.30.5000

Chemie und Industrie

Darstellung · 1 Eintrag

synthetische1,3-Adamantanediamine synthesis: 1,3-Adamantane dicarboxylic acid (12 g) was mixed with 50 mL of SOCl2 and the mixture was refluxed for 3 h. Excessive SOCl2 was evaporated and 1,3-adamantane dicarbonyl dichloride was obtained as white solid, dissolved in dried benzene and added to cold ammonia solution slowly, during which a white precipitate was formed gradually filtered and then washed the precipitate several times with water to give 1,3-disaminoacyladamantane as white solid, recrystallized from ethanol. White solid, yield 10.58 g (89 %).