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4-Benzyl-N-(1-naphthyl)-1-piperazinecarboxamide

HCID 796895
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Basic information

CAS
300391-14-4
Standard SMILES
O=C(Nc1cccc2ccccc12)N1CCN(Cc2ccccc2)CC1
InChIKey
RFMHQGJRWXPKJH-UHFFFAOYSA-N
Molecular formula
C22H23N3O
Average molar mass
345.4 g/mol
Monoisotopic mass
345.18411237

Overview

N-(1-naphthalenyl)-4-(phenylmethyl)-1-piperazinecarboxamide is a member of naphthalenes.

Names & identifiers

Preferred name
4-Benzyl-N-(1-naphthyl)-1-piperazinecarboxamide
IUPAC
4-benzyl-N-naphthalen-1-ylpiperazine-1-carboxamide

Names & synonyms

300391-14-44-benzyl-N-(1-naphthyl)-1-piperazinecarboxamideRefChem:518485662-652-84-benzyl-N-naphthalen-1-ylpiperazine-1-carboxamideN-(1-naphthalenyl)-4-(phenylmethyl)-1-piperazinecarboxamide4-benzyl-N-(naphthalen-1-yl)piperazine-1-carboxamideMLS000104729Oprea1_134128CBDivE_014064CHEMBL1459182CHEBI:116113
Show more names
HMS2277J07STL320867AKOS008667428N-naphthyl[4-benzylpiperazinyl]carboxamideSMR000054662ST50540336Q27198653

Database identifiers

CAS
300391-14-4
PubChem CID
796895
ChEMBL
CHEMBL1459182
ChEBI
CHEBI:116113
EC Number
662-652-8

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
35.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
26
Formal charge
0
Complexity
454

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

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Related reactions

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Compound notes

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