1-(Aminomethyl)cycloheptan-1-ol

HCID 18438648

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Grundinformationen

CAS: 45732-95-4
Standard-SMILES: NCC1(O)CCCCCC1
InChIKey: ZOIJDKLCFSGRFF-UHFFFAOYSA-N
Summenformel: C8H17NO
Durchschnittliche Molmasse: 143,23 g/mol
Monoisotopische Masse: 143,13101417

Namen und Bezeichner

Bevorzugter Name: 1-(Aminomethyl)cycloheptan-1-ol
IUPAC: 1-(aminomethyl)cycloheptan-1-ol
Englischer Name: 1-Aminomethylcycloheptanol
Summenformel: C8H17NO
Molmasse: 143.23

Namen und Synonyme

45732-95-41-(aminomethyl)cycloheptan-1-olDTXSID90593774RefChem:226000DTXCID20544537630-610-81-(aminomethyl)cycloheptanol1-Aminomethylcycloheptanol1-(aminomethyl)-cycloheptanolMFCD098353591-Aminomethyl-cycloheptanolCHEMBL19249

Weitere Namen anzeigen

Cycloheptanol, 1-(aminomethyl)-SCHEMBL491716ZOIJDKLCFSGRFF-UHFFFAOYSA-N1-(aminomethyl)-cycloheptan-1-olVBA73295BDBM50028804AKOS009470117EBC-612959

Datenbank-Bezeichner

CAS: 45732-95-4
PubChem CID: 18438648
DTXSID: DTXSID90593774
ChEMBL: CHEMBL19249
EC Number: 630-610-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 46,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 95

Physikochemische Eigenschaften

Siedepunkt: 14 °C · 14 °C(Press: 18 Torr)
Dichte: 0.992 · 0.992±0.06 g/cm3(Predicted)
pka: 12.99 · 12.99±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (95%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.