4-({1-[(Tert-butoxy)carbonyl]piperidin-4-yl}methyl)benzoic acid

1-Boc-4-(4-carboxy-benzyl)-piperidine · 4-[(1-BOC-4-PIPERIDINYL)METHYL]BENZOIC ACID · [4-(N-BOC-PIPERIDINYL)METHYL]-4-BENZOIC ACID · 4-((1-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YL)METHYL)BENZOIC ACID · 1-Piperidinecarboxylic acid, 4-[(4-carboxyphenyl)methyl]-,1-... · 4-(4-Carboxy-benzyl)-piperidine-1-carboxylic acid tert-butyl ester · 1-Piperidinecarboxylic acid, 4-[(4-carboxyphenyl)methyl]-, 1-(1,1-dimethylethyl) ester

https://huagongshe.com/de/chemical/11522607

Molekülstruktur von 4-({1-[(Tert-butoxy)carbonyl]piperidin-4-yl}methyl)benzoic acid

Identifikatoren & physikalische Daten

CAS No.	147969-86-6
Summenformel	C18H25NO4
Durchschnittliche Molmasse	319,4 g/mol
Monoisotopische Masse	319,17835828 g/mol
SMILES	CC(C)(C)OC(=O)N1CCC(Cc2ccc(C(=O)O)cc2)CC1
InChIKey	WXZKWAQGBFLWDT-UHFFFAOYSA-N
PubChem CID	11522607
EC No.	972-362-6

Chemische & physikalische Eigenschaften

XLogP	3,3
Polarare Oberfläche (TPSA)	66,8
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	5
Schwere Atome	23
Formalladung	0
Komplexität	413
Lagerbedingungen	Storage temp. 2-8°C

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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.
Hazard Classes and Categories	Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
Alarmwort	Warnung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315

4-({1-[(Tert-butoxy)carbonyl]piperidin-4-yl}methyl)benzoic acid

CAS No.

147969-86-6

Summenformel

C18H25NO4

Durchschnittliche Molmasse

319,4 g/mol

Monoisotopische Masse

319,17835828 g/mol

SMILES

CC(C)(C)OC(=O)N1CCC(Cc2ccc(C(=O)O)cc2)CC1

InChIKey

WXZKWAQGBFLWDT-UHFFFAOYSA-N

PubChem CID

11522607

EC No.

972-362-6

XLogP

3,3

Polarare Oberfläche (TPSA)

66,8

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

413

Lagerbedingungen

Storage temp. 2-8°C

Sicherheit & Vorschriften

GHS-Einstufung

WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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.

Hazard Classes and Categories

Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)

Alarmwort

Warnung

Gefahrenhinweise

Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315