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HCID 7019281Erstellt: 27. Oktober 2026

(1R,4S)-(+)-4-(Boc-amino)-2-cyclopentene-1-carboxylic acid

Boc-L-PEC · BOC-L-ACPEC · Peramivir impurities9 · (+)-(1R,4S)-Boc-g-Homocycloleu-2-ene · (+)-(1R,4S)-N-Boc-g-homocycloleu-2-ene · (+)-(1R,4S)-N-BOC-GAMMA-HOMOCYCLOLEU-2-ENE · (1R,4S)-Boc-4-aminocyclopent-2-ene-carboxylic acid · (1R,4S)-4-Boc-aMino-cyclopent-2-enecarboxylic acid

https://huagongshe.com/de/chemical/7019281

Molekülstruktur von (1R,4S)-(+)-4-(Boc-amino)-2-cyclopentene-1-carboxylic acid

Identifikatoren & physikalische Daten

CAS No.	151907-80-1
Summenformel	C11H17NO4
Durchschnittliche Molmasse	227,26 g/mol
Monoisotopische Masse	227,11575802 g/mol
SMILES	CC(C)(C)OC(=O)N[C@@H]1C=C[C@H](C(=O)O)C1
InChIKey	WOUNTSATDZJBLP-JGVFFNPUSA-N
PubChem CID	7019281
EC No.	634-894-4

Chemische & physikalische Eigenschaften

XLogP	1,2
Polarare Oberfläche (TPSA)	75,6
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	4
Schwere Atome	16
Formalladung	0
Komplexität	316
Schmelzpunkt	152°C
Siedepunkt	382.3±42.0 °C(Predicted)
Dichte	1.18
Lagerbedingungen	2-8°C
pKa (Säurekonstante)	4.31±0.40(Predicted)
Aggregatzustand	Crystalline Powder
Farbe	Off-white
BRN	6177417
InChI	InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-8-5-4-7(6-8)9(13)14/h4-5,7-8H,6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8+/m0/s1
InChIKey	WOUNTSATDZJBLP-JGVFFNPUSA-N
SMILES	[C@@H]1(C(O)=O)C[C@H](NC(OC(C)(C)C)=O)C=C1

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (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, 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.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.
Hazard Classes and Categories	Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)
F	10-23
Wassergefährdungsklasse (WGK)	3
Zollcode	29223900
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-36
Gefahrenklasse	IRRITANT

(1R,4S)-(+)-4-(Boc-amino)-2-cyclopentene-1-carboxylic acid

CAS No.

151907-80-1

Summenformel

C11H17NO4

Durchschnittliche Molmasse

227,26 g/mol

Monoisotopische Masse

227,11575802 g/mol

SMILES

CC(C)(C)OC(=O)N[C@@H]1C=C[C@H](C(=O)O)C1

InChIKey

WOUNTSATDZJBLP-JGVFFNPUSA-N

PubChem CID

7019281

EC No.

634-894-4

Chemische & physikalische Eigenschaften

XLogP

1,2

Polarare Oberfläche (TPSA)

75,6

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

316

Schmelzpunkt

152°C

Siedepunkt

382.3±42.0 °C(Predicted)

Dichte

1.18

Lagerbedingungen

2-8°C

pKa (Säurekonstante)

4.31±0.40(Predicted)

Aggregatzustand

Crystalline Powder

Farbe

Off-white

BRN

6177417

InChI

InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-8-5-4-7(6-8)9(13)14/h4-5,7-8H,6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8+/m0/s1

InChIKey

WOUNTSATDZJBLP-JGVFFNPUSA-N

SMILES

[C@@H]1(C(O)=O)C[C@H](NC(OC(C)(C)C)=O)C=C1

Sicherheit & Vorschriften

GHS-Einstufung

WarningH315 (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, 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.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.

Hazard Classes and Categories

Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)

10-23

Wassergefährdungsklasse (WGK)

Zollcode

29223900

R-Sätze (R)

36/37/38

Gefahrensymbole

Sicherheitshinweise (S)

26-36

Gefahrenklasse

IRRITANT