(2S)-3-(Dimethylamino)-1-(3-methoxyphenyl)-2-methyl-1-propanone

HCID 25146676

Grundinformationen

CAS
850222-40-1
Standard-SMILES
COc1cccc(C(=O)[C@@H](C)CN(C)C)c1
InChIKey
YHCVGGJYRMYIGG-JTQLQIEISA-N
Summenformel
C13H19NO2
Durchschnittliche Molmasse
221,29 g/mol
Monoisotopische Masse
221,14157885

Namen und Bezeichner

Bevorzugter Name
(2S)-3-(Dimethylamino)-1-(3-methoxyphenyl)-2-methyl-1-propanone
IUPAC
(2S)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one
Englischer Name
(S)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one
Summenformel
C13H19NO2
Molmasse
221.3

Namen und Synonyme

850222-40-1(2S)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-methyl-1-propanoneRefChem:398556617-655-9(S)-3-(Dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one(2S)-3-(Dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-oneMFCD09753761(S)-3-(Dimethylamino)-1-(3-methoxyphenyl)-2-methyl-1-propanone(S)-3-DIMETHYLAMINO-1-(3-METHOXYPHENYL)-2-METHYL-1-PROPANONEYHCVGGJYRMYIGG-JTQLQIEISA-NSCHEMBL670521ZQ945L5N5P
Weitere Namen anzeigen
He sprayed him with impurities 6He sprayed him with impurities 13(s)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-methoylpropan-1-one(2S)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-methyl-propan-1...(S) -3- (dimethylamino) -1- (3-methoxyphenyl) -2-methyl-1-acetone1-Propanone,3-(diMethylaMino)-1-(3-Methoxyphenyl)-2-Methyl-, (2S)-
DTXSID20648867CS-B0442(2S)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-methyl-propan-1-oneAKOS005258748AKOS015901773DS-1885AC-24264SY018177

Datenbank-Bezeichner

CAS
850222-40-1
PubChem CID
25146676
DTXSID
DTXSID20648867
UNII
ZQ945L5N5P
EC Number
617-655-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,1
Polarare Oberfläche (TPSA)
29,5 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
5
Schwere Atome
16

Physikochemische Eigenschaften

Siedepunkt
315.8 · 315.8±22.0 °C(Predicted)
Dichte
1.012 · 1.012
storage temp.
2 · 2-8°C
pka
8.87 · 8.87±0.28(Predicted)
InChI
InChI=1S/C13H19NO2/c1-10(9-14(2)3)13(15)11-6-5-7-12(8-11)16-4/h5-8,10H,9H2,1-4H3/t10-/m0/s1
InChIKey
YHCVGGJYRMYIGG-JTQLQIEISA-N

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Danger

H225 (20%): Highly Flammable liquid and vapor [Danger Flammable liquids];H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (20%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H411 (20%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 5 reports by companies.;There are 2 notifications provided by 4 of 5 reports by companies with hazard statement code(s).;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.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 2 (20%);Acute Tox. 4 (80%);Skin Irrit. 2 (80%);Skin Sens. 1 (20%);Eye Irrit. 2 (80%);Aquatic Chronic 2 (20%)

Sicherheitsdaten

hs_code
2914500090

Chemie und Industrie

Anwendungen

Verwenden(S)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one is an organic intermediate, commonly used as an organic synthetic material, mostly used in industrial and experimental research.

Anbieter76 Anbieter

重庆欣博曜生物科技有限公司19122915778 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Xi'an Tuochao Biotechnology Co., Ltd+86-02988764766 +86-18092957403 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

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