tert-Butyl [4-(hydroxymethyl)benzyl]carbamate

4-(BOC-AMINOMETHYL-PHENYL)-METHANOL · 4-(N-Boc-aMinoMethyl)benzyl alcohol · N-Boc-4-(aminomethyl)benzyl Alcohol · tert-BUTYL-4-(HYDROXYMETHYL)BENZYLCARBAMATE · 4-(Aminomethyl)benzyl alcohol, N-BOC protected · 4-(Aminomethyl)benzylalcohol,N-BOCprotected97% · 4-(tert-Butoxycarbonylaminomethyl)benzyl alcohol · tert-Butyl [4-(hydroxymethyl)benzyl]carbamate 97%

https://huagongshe.com/de/chemical/2794813

Molekülstruktur von tert-Butyl [4-(hydroxymethyl)benzyl]carbamate

Identifikatoren & physikalische Daten

CAS No.	123986-64-1
Summenformel	C13H19NO3
Durchschnittliche Molmasse	237,29 g/mol
Monoisotopische Masse	237,13649347 g/mol
SMILES	CC(C)(C)OC(=O)NCc1ccc(CO)cc1
InChIKey	KUEPOWVQABAWRK-UHFFFAOYSA-N
PubChem CID	2794813
EC No.	640-953-5
DTXSID	DTXSID10383437

Chemische & physikalische Eigenschaften

XLogP	1,5
Polarare Oberfläche (TPSA)	58,6
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	5
Schwere Atome	17
Formalladung	0
Komplexität	240
Schmelzpunkt	98 °C
Siedepunkt	397.2±30.0 °C(Predicted)
Dichte	1.106±0.06 g/cm3(Predicted)
Lagerbedingungen	2-8°C
Aggregatzustand	solid
pKa (Säurekonstante)	12.19±0.46(Predicted)
Farbe	White

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, 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.
Hazard Classes and Categories	Acute Tox. 4 (97.5%)
Zollcode	2906290090
Gefahrensymbole	Xi
hazard_note	Irritant