(S)-N-Boc-1,2,3,6-tetrahydro-2-pyridinecarboxylic acid

TB-1764 · (S)-N-Boc-1,2,3,6-Tetrahydro-2-picolinic acid · (S)-1-Boc-3,6-dihydro-2H-pyridine-2-carboxylic acid · (S)-N-Boc-1,2,3,6-tetrahydro-2-pyridinecarboxylic acid · (S)-1-(tert-butoxycarbonyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid · 1,2(2H)-Pyridinedicarboxylic acid, 3,6-dihydro-, 1-(1,1-dimethylethyl) ester, (2S)-

https://huagongshe.com/de/chemical/11368145

Molekülstruktur von (S)-N-Boc-1,2,3,6-tetrahydro-2-pyridinecarboxylic acid

Identifikatoren & physikalische Daten

CAS No.	417726-36-4
Summenformel	C11H17NO4
Durchschnittliche Molmasse	227,26 g/mol
Monoisotopische Masse	227,11575802 g/mol
SMILES	CC(C)(C)OC(=O)N1CC=CC[C@H]1C(=O)O
InChIKey	SSYLTDCVONDKNS-QMMMGPOBSA-N
PubChem CID	11368145
EC No.	625-858-9
DTXSID	DTXSID00463752

Chemische & physikalische Eigenschaften

XLogP	1,4
Polarare Oberfläche (TPSA)	66,8
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	3
Schwere Atome	16
Formalladung	0
Komplexität	316
Aggregatzustand	solid
BRN	9049382
InChI	1S/C11H17NO4/c1-11(2,3)16-10(15)12-7-5-4-6-8(12)9(13)14/h4-5,8H,6-7H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKey	SSYLTDCVONDKNS-QMMMGPOBSA-N
SMILES	CC(C)(C)OC(=O)N1CC=CC[C@H]1C(O)=O

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)	3
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Eye Irrit. 2Skin Irrit. 2STOT SE 3

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HCID 11368145Erstellt: 30. Oktober 2026

(S)-N-Boc-1,2,3,6-tetrahydro-2-pyridinecarboxylic acid

https://huagongshe.com/de/chemical/11368145

Identifikatoren & physikalische Daten

CAS No.	417726-36-4
Summenformel	C11H17NO4
Durchschnittliche Molmasse	227,26 g/mol
Monoisotopische Masse	227,11575802 g/mol
SMILES	CC(C)(C)OC(=O)N1CC=CC[C@H]1C(=O)O
InChIKey	SSYLTDCVONDKNS-QMMMGPOBSA-N
PubChem CID	11368145
EC No.	625-858-9
DTXSID	DTXSID00463752

Chemische & physikalische Eigenschaften

XLogP	1,4
Polarare Oberfläche (TPSA)	66,8
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	3
Schwere Atome	16
Formalladung	0
Komplexität	316
Aggregatzustand	solid
BRN	9049382
InChI	1S/C11H17NO4/c1-11(2,3)16-10(15)12-7-5-4-6-8(12)9(13)14/h4-5,8H,6-7H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKey	SSYLTDCVONDKNS-QMMMGPOBSA-N
SMILES	CC(C)(C)OC(=O)N1CC=CC[C@H]1C(O)=O

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)	3
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Eye Irrit. 2Skin Irrit. 2STOT SE 3