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ethyl N-(4-ethoxyphenyl)carbamate

HCID 230720
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
5255-65-2
Standard SMILES
CCOC(=O)Nc1ccc(OCC)cc1
InChIKey
RTAWHUYTVOWYLU-UHFFFAOYSA-N
Molecular formula
C11H15NO3
Average molar mass
209.24 g/mol
Monoisotopic mass
209.10519334

Names & identifiers

Preferred name
ethyl N-(4-ethoxyphenyl)carbamate
IUPAC
ethyl N-(4-ethoxyphenyl)carbamate

Names & synonyms

ethyl N-(4-ethoxyphenyl)carbamate5255-65-2DTXSID20282447RefChem:344924DTXCID10233600635-440-8ethyl (4-ethoxyphenyl)carbamateCarbamic acid, 4-ethoxyphenyl, ethyl esterSCHEMBL9515073NSC25865NSC-25865AKOS002963763
Show more names
DB-342849Carbamic acid, (4-ethoxyphenyl)-, ethyl esterSR-01000395718SR-01000395718-1

Database identifiers

CAS
5255-65-2
PubChem CID
230720
DTXSID
DTXSID20282447
EC Number
635-440-8
Nikkaji
J1.406.595D

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
47.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
15
Formal charge
0
Complexity
188

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 · 4 items

Warning

H319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (97.4%)

Related reactions

3 records
New reaction record
HRID 668317 reaction equation
HRID 668317As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1461726 reaction equation
HRID 1461726As reactantuspto-grants-1991_12
HRID 1710043 reaction equation
HRID 1710043As reactantuspto-grants-1990_08

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes