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1-(Naphthalen-1-yl)ethanone oxime

HCID 349681
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
1956-40-7
Standard SMILES
CC(=NO)c1cccc2ccccc12
InChIKey
KHNGQTJKEPANSZ-UHFFFAOYSA-N
Molecular formula
C12H11NO
Average molar mass
185.22 g/mol

Names & identifiers

Preferred name
1-(Naphthalen-1-yl)ethanone oxime
IUPAC
N-(1-naphthalen-1-ylethylidene)hydroxylamine
English name
Ethanone, 1-(1-naphthalenyl)-, oxiMe
Molecular formula
C12H11NO
Molecular weight
185.22

Names & synonyms

1956-40-71-(Naphthalen-1-yl)ethanone oxime1-Acetylnaphthalene oximeN-(1-naphthalen-1-ylethylidene)hydroxylamineCinacalcet Impurity 5 ( E ) / (E Oxime Impurity)1-(1-Naphthyl)ethanone OximeEthanone, 1-(1-naphthalenyl)-, oximeMFCD00550305Acetonaphthone OximeSCHEMBL6247557SCHEMBL30173208KHNGQTJKEPANSZ-UHFFFAOYSA-N
Show more names
Cinacalcet Impurity 1261'-Acetonaphthone, oximeCinacalcet Hydrochloride iMpuritR1-(hydroxyimino)-1-naphthylethaneCinacalcet hydrochloride impurity R(E)-1-(Naphthalen-1-yl)ethanone Oxime(E)-1-(naphthalen-1-yl)ethan-1-one oxime
AKOS017263874SY316779

Database identifiers

CAS
1956-40-7
PubChem CID
349681
EC Number
606-339-6

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
32.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
14
Formal charge
0
Complexity
224

Physicochemical properties

Melting point
136.5 · 136.5-137.5 °C
Boiling point
359.2 · 359.2±11.0 °C(Predicted)
Density
1.09 · 1.09±0.1 g/cm3(Predicted)
pka
11.43 · 11.43±0.70(Predicted)
Symbol(GHS)
2 · GHS02,GHS06,GHS07
Signal word
Danger
Hazard statements
228 · H228-H301+H311+H331-H315-H319
Precautionary statements
240 · P240-P210-P241-P280-P370+P378-P501-P261-P270-P271-P264-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405

Safety & regulation

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

Safety data

Signal word
Danger
Symbol(GHS)
GHS02,GHS06,GHS07
Hazard statements
H228-H301+H311+H331-H315-H319
Precautionary statements
P240-P210-P241-P280-P370+P378-P501-P261-P270-P271-P264-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405

Chemistry & industry

Suppliers20 total

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
焦作沃恩生物科技有限责任公司0391-3702345 18739121806
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
山东领海生物科技有限公司15092083467 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
石家庄耀博医药科技有限公司15633056635 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
上海策嵘生物科技有限公司(定制合成实验室)13062833949 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

Related reactions

2 records
New reaction record
HRID 189781 reaction equation
HRID 189781As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 2122100 reaction equation
HRID 2122100As productuspto-grants-2004_02

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
江苏艾康生物医药研发有限公司
025-66113011 19370895928 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
北京迈瑞达科技有限公司010-82387566 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
上海皓元医药股份有限公司021-58950125 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]