Benzenamine, 2-ethyl-N-(2-methoxy-1-methylethyl)-6-methyl-

HCID 65298
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Basic information

CAS
51219-00-2
Standard SMILES
CCc1cccc(C)c1NC(C)COC
InChIKey
YXWIRQHVEQIJOV-UHFFFAOYSA-N
Molecular formula
C13H21NO
Average molar mass
207.31 g/mol
Monoisotopic mass
207.16231429

Names & identifiers

Preferred name
Benzenamine, 2-ethyl-N-(2-methoxy-1-methylethyl)-6-methyl-
IUPAC
2-ethyl-N-(1-methoxypropan-2-yl)-6-methylaniline
English name
2-ethyl-N-(2-methoxyisopropyl)-6-methylaniline
Molecular formula
C13H21NO
Molecular weight
207.31

Names & synonyms

2-Ethyl-N-(2-methoxyisopropyl)-6-methylanilineBenzenamine, 2-ethyl-N-(2-methoxy-1-methylethyl)-6-methyl-DeschloroacetylmetolachlorEINECS 257-061-3DTXSID108859462-Ethyl-6-methyl-N-(1'-methyl-2-methoxyethyl)anilineRefChem:561693DTXCID901025301257-061-351219-00-22-ethyl-N-(1-methoxypropan-2-yl)-6-methylanilineMFCD16787883
Show more names
N-(1-Methoxy-2-propyl)-2-ethyl-6-methylaniline2-Ethyl-6-methyl-N-(1'-methoxy-2'-propyl)anilineN-(1-Methyl-2-methoxyethyl)-2-ethyl-6-methylaniline2-Ethyl-N-(2-methoxy-1-methylethyl)-6-methylanilineMetolachlor-des(chloroacetyl) 100 μg/mL in Acetonitrile
2-Ethyl-N-(2-methoxy-1-methylethyl)-6-methyl-benzenamine2-?Ethyl-?N-?(2-?methoxy-?1-?methylethyl)?-?6-?methyl-benzenamine2-Ethyl-N-(2-methoxy-1-methylethyl)-6-methylbenzenamine; 2-Ethyl-6-methyl-N-(1'-methoxy-2'-propyl)aniline; Deschloroacetylmetolachlor; N-(1-Methoxy-2-propyl)-2-ethyl-6-methylanilineMetolachlor des(chloroacetyl)Metolachlor-des(chloroacetyl)SCHEMBL3466659YXWIRQHVEQIJOV-UHFFFAOYSA-NBCA21900

Database identifiers

CAS
51219-00-2
PubChem CID
65298
DTXSID
DTXSID10885946
EC Number
257-061-3
Nikkaji
J261.661K

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
21.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
15

Physicochemical properties

Boiling point
315.9 · 315.9±37.0 °C(Predicted)
Density
0.967 · 0.967±0.06 g/cm3(Predicted)
solubility
Dichloromethane; Methanol; Toluene
form
Oil
pka
4.74 · 4.74±0.50(Predicted)
color
Yellow

Safety & regulation

GHS classification

GHS Classification · 3 items

H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 29 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAquatic Chronic 3 (100%)

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H412
Precautionary statements
P273-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenamine, 2-ethyl-N-(2-methoxy-1-methylethyl)-6-methyl-: INACTIVE
Applications · 1 item

Uses2-Ethyl-N-(2-methoxy-1-methylethyl)-6-methyl-benzenamine is an intermediate in synthesizing Metolachlor (M338700), an acyanilide herbicide similar to selective pre-emergence herbicides (1). It is a contaminant in the groundwater and potential pollutant (2). This compound is a contaminant of emerging concern (CECs). Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA), environmental, and food contaminants.

Suppliers15 total

南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
北京欣恒研科技有限公司010-56034419 13426091577
上海艾梯西生物科技有限公司18721763493

Related reactions

1 records
New reaction record

Compound notes

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