HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke

HCID 91694Erstellt: 27. Oktober 2026

1-(3-(4-(1,1-Dimethylethyl)phe-nyl)-2-methylpropyl)piperidin

fenpropidine · TERN · patrol · SPONSOR · COLUMBIA · ro12-3049 · cga114900 · Fenproidin

https://huagongshe.com/de/chemical/91694

Molekülstruktur von 1-(3-(4-(1,1-Dimethylethyl)phe-nyl)-2-methylpropyl)piperidin

Identifikatoren & physikalische Daten

CAS No.	67306-00-7
Summenformel	C19H31N
Durchschnittliche Molmasse	273,5 g/mol
Monoisotopische Masse	273,24564999 g/mol
SMILES	CC(Cc1ccc(C(C)(C)C)cc1)CN1CCCCC1
InChIKey	MGNFYQILYYYUBS-UHFFFAOYSA-N
PubChem CID	91694
ChEMBL	CHEMBL1889041
ChEBI	CHEBI:83291
EC No.	614-049-6
DTXSID	DTXSID9058157
Lokaler Name	1-(3-(4-(1,1-Dimethylethyl)phe-nyl)-2-methylpropyl)piperidin

Chemische & physikalische Eigenschaften

XLogP	5,5
Polarare Oberfläche (TPSA)	3,2
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	5
Schwere Atome	20
Formalladung	0
Komplexität	264
Pestizide	FungicidesActive substance -> EU Pesticides database: ApprovedEnvironmental transformation -> Pesticides (parent, predecessor)Pesticide (Fenpropidin) -> USDA PDB
Human Drugs	Pharmaceuticals
Collision Cross Section	166.39 Å² [M+H]+ [CCS Type: TW]
Schmelzpunkt	25°C
Siedepunkt	bp0.2 117°bp0.045 125°bp0.032 104°
Dichte	0.9112 (rough estimate)
Dampfdruck	1.7 x 10-2 Pa (25 °C)
Brechungsindex	1.4900 (estimate)
Lagerbedingungen	Refrigerator
Löslichkeit	Chloroform, Ethyl Acetate (Slightly)530 mg l-1 (pH 7 at 25 °C)
Aggregatzustand	Liquid
pKa (Säurekonstante)	10.1
Farbe	Clear Colourless
Merck	13,4020
BRN	5336091
Henry-Konstante	7.1×102 mol/(m3Pa) at 25℃, Feigenbrugel and Calvé (2021)
Hauptanwendungen	agricultureenvironmental
InChI	1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3
InChIKey	MGNFYQILYYYUBS-UHFFFAOYSA-N
SMILES	CC(CN1CCCCC1)Cc2ccc(cc2)C(C)(C)C
CAS Datenbank	67306-00-7
NIST chemische Informationen	Fenpropidin(67306-00-7)
EPA chemische Informationen	Piperidine, 1-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]- (67306-00-7)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P203, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)H302+H332 (26.6%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oralacute toxicity, inhalation]P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Regulatorische Informationen	Commission Regulation (EC) No 1490/2002Fenpropidin is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)2008/66, Reg. (EU) 2018/1796, Reg. (EU) 2019/1589, Reg. (EU) 2020/1511, Reg. (EU) 2021/1449, Reg. (EU) 2022/1480, Reg. (EU) 2023/2592, Reg. (EU) No 540/2011Fenpropidin: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories	Acute Tox. 4 (100%)Repr. 2
RAIS Toxicity Values	0.07OPP0.023
EPA Human Health Benchmarks for Pesticides	Fenpropidin0.07500Children0.023140
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	2902
Zollcode	29333990
RTECS-Nr.	TM7292000
R-Sätze (R)	21/22-36
Gefahrensymbole	Xn
Sicherheitshinweise (S)	26-36/37
Gefahrenklasse	6.1(b)Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Sens. 1BSTOT RE 2STOT SE 3
Verpackungsgruppe	III
Lagerklasse	10 - Combustible liquids

Anwendungen & Verwendung

Beschreibung

fenpropidine, a piperidine derivative, and spiroxamine, a dioxolanemethyleneamine derivative introduced in 1996 , belong to the same group of fungicides.

Verwenden

Fenpropidin is both a contact and a systemic fungicide which provides effective eradicant control of powdery mildew, rusts and leaf blotch in cereal.

Identifikatoren & physikalische Daten

CAS No.

67306-00-7

Summenformel

C19H31N

Durchschnittliche Molmasse

273,5 g/mol

Monoisotopische Masse

273,24564999 g/mol

SMILES

CC(Cc1ccc(C(C)(C)C)cc1)CN1CCCCC1

InChIKey

MGNFYQILYYYUBS-UHFFFAOYSA-N

PubChem CID

91694

ChEMBL

CHEMBL1889041

ChEBI

CHEBI:83291

EC No.

614-049-6

DTXSID

DTXSID9058157

Lokaler Name

1-(3-(4-(1,1-Dimethylethyl)phe-nyl)-2-methylpropyl)piperidin

Chemische & physikalische Eigenschaften

XLogP

5,5

Polarare Oberfläche (TPSA)

3,2

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

264

Pestizide

FungicidesActive substance -> EU Pesticides database: ApprovedEnvironmental transformation -> Pesticides (parent, predecessor)Pesticide (Fenpropidin) -> USDA PDB

Human Drugs

Pharmaceuticals

Collision Cross Section

166.39 Å² [M+H]+ [CCS Type: TW]

Schmelzpunkt

25°C

Siedepunkt

bp0.2 117°bp0.045 125°bp0.032 104°

Dichte

0.9112 (rough estimate)

Dampfdruck

1.7 x 10-2 Pa (25 °C)

Brechungsindex

1.4900 (estimate)

Lagerbedingungen

Refrigerator

Löslichkeit

Chloroform, Ethyl Acetate (Slightly)530 mg l-1 (pH 7 at 25 °C)

Aggregatzustand

Liquid

pKa (Säurekonstante)

10.1

Farbe

Clear Colourless

Merck

13,4020

BRN

5336091

Henry-Konstante

7.1×102 mol/(m3Pa) at 25℃, Feigenbrugel and Calvé (2021)

Hauptanwendungen

agricultureenvironmental

InChI

1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3

InChIKey

MGNFYQILYYYUBS-UHFFFAOYSA-N

SMILES

CC(CN1CCCCC1)Cc2ccc(cc2)C(C)(C)C

CAS Datenbank

67306-00-7

NIST chemische Informationen

Fenpropidin(67306-00-7)

EPA chemische Informationen

Piperidine, 1-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]- (67306-00-7)

Sicherheit & Vorschriften

GHS-Einstufung

DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P203, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)H302+H332 (26.6%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oralacute toxicity, inhalation]P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Regulatorische Informationen

Commission Regulation (EC) No 1490/2002Fenpropidin is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)2008/66, Reg. (EU) 2018/1796, Reg. (EU) 2019/1589, Reg. (EU) 2020/1511, Reg. (EU) 2021/1449, Reg. (EU) 2022/1480, Reg. (EU) 2023/2592, Reg. (EU) No 540/2011Fenpropidin: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and Categories

Acute Tox. 4 (100%)Repr. 2

RAIS Toxicity Values

0.07OPP0.023

EPA Human Health Benchmarks for Pesticides

Fenpropidin0.07500Children0.023140

Wassergefährdungsklasse (WGK)

UN-Transportnummer

2902

Zollcode

29333990

RTECS-Nr.

TM7292000

R-Sätze (R)

21/22-36

Gefahrensymbole

Sicherheitshinweise (S)

26-36/37

Gefahrenklasse

6.1(b)Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Sens. 1BSTOT RE 2STOT SE 3

Verpackungsgruppe

III

Lagerklasse

10 - Combustible liquids

Anwendungen & Verwendung

Beschreibung

fenpropidine, a piperidine derivative, and spiroxamine, a dioxolanemethyleneamine derivative introduced in 1996 , belong to the same group of fungicides.

Verwenden

Fenpropidin is both a contact and a systemic fungicide which provides effective eradicant control of powdery mildew, rusts and leaf blotch in cereal.