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N-((4-methoxyphenyl)methyl)acetamide

HCID 37050
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
35103-34-5
Standard SMILES
COc1ccc(CNC(C)=O)cc1
InChIKey
VGCSNHYGZYURJQ-UHFFFAOYSA-N
Molecular formula
C10H13NO2
Average molar mass
179.22 g/mol
Monoisotopic mass
179.09462866

Names & identifiers

Preferred name
N-((4-methoxyphenyl)methyl)acetamide
IUPAC
N-[(4-methoxyphenyl)methyl]acetamide
English name
N-(4-Methoxybenzyl)acetamide
Molecular formula
C10H13NO2
Molecular weight
179.22

Names & synonyms

N-[(4-methoxyphenyl)methyl]acetamide35103-34-5N-((4-METHOXYPHENYL)METHYL)ACETAMIDEDTXSID30188603RefChem:1090700DTXCID50111094N-(4-Methoxybenzyl)acetamideAcetamide, N-[(4-methoxyphenyl)methyl]-p-methoxylbenzyl acetamideTimTec1_000614N-(p-Methoxybenzyl)acetamideSCHEMBL885045
Show more names
N-(4-methoxybenzyl)-acetamideSCHEMBL10968154N-(4-Methoxybenzyl)acetamide #HMS1535L20KBA10334STK069912AKOS003267836GS-0410

Database identifiers

CAS
35103-34-5
PubChem CID
37050
DTXSID
DTXSID30188603
Nikkaji
J102.686K

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
13
Formal charge
0
Complexity
162

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

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
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

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Related reactions

2 records
New reaction record
HRID 157582 reaction equation
HRID 157582As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 392829 reaction equation
HRID 392829As reactantuspto-grants-2004_10

Compound notes

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