(1S,2S)-(+)-N,N'-Dimethylcyclohexane-1,2-diamine

HCID 13822957

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Grundinformationen

CAS: 87583-89-9
Standard-SMILES: CN[C@H]1CCCC[C@@H]1NC
InChIKey: JRHPOFJADXHYBR-YUMQZZPRSA-N
Summenformel: C8H18N2
Durchschnittliche Molmasse: 142,24 g/mol
Monoisotopische Masse: 142,14699858

Namen und Bezeichner

Bevorzugter Name: (1S,2S)-(+)-N,N'-Dimethylcyclohexane-1,2-diamine
IUPAC: trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine
Englischer Name: (1S,2S)-N,N'-Dimethyl-1,2-cyclohexanediamine
Summenformel: C8H18N2
Molmasse: 142.24

Namen und Synonyme

(1S,2S)-(+)-N,N'-Dimethylcyclohexane-1,2-diamineRefChem:393976625-342-387583-89-9(1s,2s)-n1,n2-dimethylcyclohexane-1,2-diaminetrans-(1S,2S)-N,N'-Dimethylcyclohexane-1,2-diamine(1S,2S)-N,N'-Dimethyl-1,2-cyclohexanediamine(1S,2S)-N,N'-dimethylcyclohexane-1,2-diamineMFCD00671528(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine(1s,2s)-n,n'-bismethyl-1,2-cyclohexane-diamine(1S,2S)- N,N'-Dimethyl-1,2-cyclohexanediamine

Weitere Namen anzeigen

(1S,2S)-N,N'-Dimethyl-1,2-diaminocyclohexane(1S,2S)-N1,N2-Dimethyl-1,2-cyclohexanediamineDimethylcyclohexanediamine2S)-N(S,S)-(+)-N,NN\'-BisMethyl-1ohexane-1,2-diamine(1S,2S)-(+)-N,N'2-cyclohexane-diaMine(1S,2S)-(+)-N,N'-DimethyL

AKOS006237679(1s,2s)-n,n'-dimethyl-cyclohexane-1,2-diamine(S,S)-(+)-N,N'-Dimethyl-1,2-cyclohexanediamine, >=97.0% (GC)(S,S)-(+)-N,N inverted exclamation marka-Dimethyl-1,2-cyclohexanediamine(s,s)-(+)-n,n'-dimethyl-1,2-cyclohexanediamine(1S,2S)-(+)-1,2-Bis(methylamino)cyclohexaneN,N'-Dimethyl-(1S,2S)-1,2-Cyclohexanediamine1,2-Cyclohexanediamine, N,N'-dimethyl-, (1S,2S)-

Datenbank-Bezeichner

CAS: 87583-89-9
PubChem CID: 13822957
DTXSID: DTXSID40550514
EC Number: 625-342-3
Nikkaji: J804.672G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 24,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 81,3

Physikochemische Eigenschaften

Schmelzpunkt: 39 · 39-44 °C
Siedepunkt: 186.8 · 186.8±8.0 °C(Predicted)
Dichte: 0.902 · 0.902
Brechungsindex: 145 ° · 145 ° (C=4, CHCl3)
Flammpunkt: 74 °C · 74 °C
storage temp.: 2 · 2-8°C
Aggregatzustand: Solid
pka: 11.04 · 11.04±0.40(Predicted)
Farbe: Pale brown
Wasserlöslichkeit: Slightly soluble in water.
BRN: 4304824 · 4304824
InChI: InChI=1S/C8H18N2/c1-9-7-5-3-4-6-8(7)10-2/h7-10H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKey: JRHPOFJADXHYBR-YUMQZZPRSA-N
SMILES: [C@H]1(NC)CCCC[C@@H]1NC
CAS Datenbank: 87583 · 87583-89-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (95.7%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3259
hs_code: 29213000
risk_code: 36/37/38-34-22
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: Ⅱ
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Acute Tox. 4 OralSkin Corr. 1B

Chemie und Industrie

Anwendungen

VerwendenIt is employed in the synthesis of 6-substituted 1-oxoindanoyl isoleucine conjugates and modeling studies with the coi1-jaz co-receptor complex of lima bean.