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Fenpropidin

Fenpropidin structure

CAS No:
67306-00-7
Formula:
C19H31N
Chemical Name:
Fenpropidin
Synonyms:
Piperidine,1-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-;1-[3-[4-(1,1-Dimethylethyl)phenyl]-2-methylpropyl]piperidine;Fenpropidine;Fenpropidin;F 3240;Patrol;Mildin
Categories:
Agrochemicals > Fungicides

Description

ChEBI: A member of the class of piperidines that is N-isobutylpiperidine in which a hydrogen of one of the methyl groups is replaced by a p-tert-butylphenyl group.

1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine is a member of the class of piperidines that is N-isobutylpiperidine in which a hydrogen of one of the methyl groups is replaced by a p-tert-butylphenyl group. It is a member of piperidines and a tertiary amine.|Fenpropidin has been investigated for the treatment of Hernia.

Fenpropidin Basic Attributes

Molecular Weight：

273.46

Exact Mass：

273.46

EC Number：

614-049-6

DSSTox ID：

DTXSID9058157

HScode：

29333990

Characteristics

PSA：

3.24000

XLogP3：

4.58650

Appearance：

brown transparent liquid

Density：

0.924 g/cm3

Melting Point：

<25 °C

Boiling Point：

>250 °C

Flash Point：

159.3ºC

Refractive Index：

1.507

Water Solubility：

530 mg l -1 (pH 7 at 25 °C)

Vapor Pressure：

1.7 x 10 -2 Pa (25 °C)

Collision Cross Section：

166.39 Å² [M+H]+ [CCS Type: TW]

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

2902

wgk germany：

hazard class code：

21/22-36

safety instructions：

26-36/37

RTECS Number：

TM7292000

Marks：

Precautionary statement(s)：

P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H319

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P272, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P314, P321, P322, P330, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 236 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Chemicals that kill or inhibit the growth of fungi in agricultural applications, on wood, plastics, or other materials, in swimming pools, etc. (See all compounds classified as Fungicides, Industrial.)

MeSH Entry Terms：

1-(2-methyl-3-(4-(2-methyl-2-propanyl)phenyl)propyl)piperidine

Fenpropidin Use and Manufacturing

Uses

Agricultural fungicide.

Use Classification：

Agrochemicals -> Fungicides|Pharmaceuticals|Fungicides|Environmental transformation -> Pesticides (parent, predecessor)

Agrochemical：

Fenpropidin has known environmental transformation products that include 2-methyl-2-(4-(2-methyl-3-piperidin-1-yl-propyl)-phenyl)-propionic acid.|Fenpropidin has known environmental transformation products that include CGA 289253, CGA 289267, CGA 289268, CGA 289269, CGA 289273, CGA 289274, NOA 406116, and NOA 406117.

Computed Properties

Molecular Weight:273.5
XLogP3:5.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:273.245649993
Monoisotopic Mass:273.245649993
Topological Polar Surface Area:3.2
Heavy Atom Count:20
Complexity:264
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes