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3-(Dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one

HCID 19360495
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
197145-37-2
Standard SMILES
COc1cccc(C(=O)C(C)CN(C)C)c1
InChIKey
YHCVGGJYRMYIGG-UHFFFAOYSA-N
Molecular formula
C13H19NO2
Average molar mass
221.29 g/mol
Monoisotopic mass
221.14157885

Names & identifiers

Preferred name
3-(Dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one
IUPAC
3-(dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one
English name
3-(Dimethylamino)-1-(3-methoxyphenyl)-2-methyl-1-propanone
Molecular formula
C13H19NO2
Molecular weight
221.3

Names & synonyms

197145-37-23-(Dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one3-(dimethylamino)-1-(3-methoxyphenyl)-2-methyl-1-propanoneDTXSID70598348RefChem:495012DTXCID60549107606-357-41-Propanone, 3-(dimethylamino)-1-(3-methoxyphenyl)-2-methyl-MFCD180727231-Propanone,3-(dimethylamino)-1-(3-methoxyphenyl)-2-methyl-YHCVGGJYRMYIGG-UHFFFAOYSA-N-2-methylpropan-1-one
Show more names
3- (dimethylamino) -1- (3-methoxyphenyl) -2-methylacetone3-(dimethylamino)-l -(3-methoxyphenyl)-2-methyl-l -propanoneCAS197145-37-2 3-(Dimethylamino)-1-(3-methoxyphenyl)-2-methyl-1-propanone3-(DIMETHYLAMINO)-1-(3-METHOXYPHENOL)-2-METHOXYPROPAN-1-ONE HYDROCHLORIDE
AE5P3DQJ3ASCHEMBL670522SCHEMBL123938643-Dimethylamino-1-(3-methoxyphenyl)-2-methyl-1-propanoneCS-M0174AKOS015909040SB47508SB80056

Database identifiers

CAS
197145-37-2
PubChem CID
19360495
DTXSID
DTXSID70598348
UNII
AE5P3DQJ3A
EC Number
606-357-4

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
16
Formal charge
0
Complexity
228

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338
REACH Registrations
Active

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H411 (50%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

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

Hazard information

Regulatory InformationStatus: Active Update: 10-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/34448
Hazard Classes and CategoriesAcute Tox. 4 (50%);Skin Irrit. 2 (50%);Skin Sens. 1 (50%);Eye Irrit. 2 (50%);Aquatic Chronic 2 (50%)

Regulatory information

Regulatory InformationStatus: Active Update: 10-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/34448

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
REACH Registrations
Active
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Downstream products

4-bromonaphthalen-2-ol

Suppliers29 total

奥夫仑医药(四川)有限公司17336178085 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
郑州安步防护用具有限公司+86-0371-88006763; +86-15988602810 · [email protected]
南京多隆生物科技有限公司18905173768 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
北京建强伟业科技有限公司(FUSION弗珍试剂品牌)0531-88924771 15614660963 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
郑州派和泰德医药科技有限公司13343718483 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
郑州凡尔赛特化工有限公司0371-67991738 13783628208 · [email protected]
AbaChemScene732-484-9848 · [email protected]
南京克罗托鲁宁医药科技有限公司13382066392
Nanjing Dolon Biotechnology Co.,Ltd.18905173768 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
武汉同一溯生物科技有限公司15071019375 · [email protected]

Related reactions

2 records
New reaction record
HRID 1096693 reaction equation
HRID 1096693As productuspto-grants-2012_03
HRID 2093022 reaction equation
HRID 2093022As productuspto-grants-2013_05

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes