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HCID 78448Erstellt: 26. Oktober 2026

3-(Benzylamino)propanol

NSC 17283 · NSC 165603 · CHEMBRDG-BB 5116282 · 3-(benzylamino)propanol · N-Benzyl-3-propanolaMine · N-Benzyl-3-aminopropanol · 3-BENZYLAMINO-1-PROPANOL · 3-Benzylamino-propan-1-ol

https://huagongshe.com/de/chemical/78448

Molekülstruktur von 3-(Benzylamino)propanol

Identifikatoren & physikalische Daten

CAS No.4720-29-0
SummenformelC10H15NO
Durchschnittliche Molmasse165,23 g/mol
Monoisotopische Masse165,1153641 g/mol
SMILESOCCCNCc1ccccc1
InChIKeyZQJXSIOFSZYGMH-UHFFFAOYSA-N
PubChem CID78448
EC No.225-210-1
DTXSIDDTXSID00197065
Lokaler Name3-(Benzylamino)propanol

Chemische & physikalische Eigenschaften

XLogP1
Polarare Oberfläche (TPSA)32,3
H-Brücken-Donoren2
H-Brücken-Akzeptoren2
Frei drehbare Bindungen5
Schwere Atome12
Formalladung0
Komplexität100
Siedepunkt115°C/0.7mmHg(lit.)
Dichte1.022±0.06 g/cm3(Predicted)
Brechungsindex1.5360-1.5400
LagerbedingungenKeep in dark place,Inert atmosphere,Room temperature
LöslichkeitChloroform, Dichloromethane, Ethyl Acetate
AggregatzustandOil
pKa (Säurekonstante)14.96±0.10(Predicted)
FarbeColorless
InChIInChI=1S/C10H15NO/c12-8-4-7-11-9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2
InChIKeyZQJXSIOFSZYGMH-UHFFFAOYSA-N
SMILESC(O)CCNCC1=CC=CC=C1
LogP (Verteilungskoeffizient)0.906 (est)

Sicherheit & Vorschriften

GHS-EinstufungDangerH302 (84.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (84.8%)
Zollcode2922190090