CAS 1466-67-7 Urea, N,N'-bis(phenylmethyl)- (HCID 72889)

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Basic information

CAS: 1466-67-7
Standard SMILES: O=C(NCc1ccccc1)NCc1ccccc1
InChIKey: KATOLVAXCGIBLO-UHFFFAOYSA-N
Molecular formula: C15H16N2O
Average molar mass: 240.3 g/mol
Monoisotopic mass: 240.12626313

Overview

Urea, N,N'-bis(phenylmethyl)- has been reported in Pentadiplandra brazzeana, Moringa oleifera, and Salvadora oleoides with data available.

Names & identifiers

Preferred name: Urea, N,N'-bis(phenylmethyl)-
IUPAC: 1,3-dibenzylurea
English name: 1,3-dibenzylurea
Molecular formula: C15H16N2O
Molecular weight: 240.3

Names & synonyms

1,3-Dibenzylurea1466-67-7N,N'-DibenzylureaUrea, N,N'-bis(phenylmethyl)-sym-DibenzylureaZV725XJ34VEINECS 215-984-9NSC 408007NSC-408007AI3-19855DTXSID3061710N,N'-BIS(PHENYLMETHYL)UREA

Show more names

1,3-bis(benzyl)urea1,3-bis(phenylmethyl)urea1,3-Dibenzylurea - [D94385]Lacosamide Impurity: 1,3-dibenzylureaLacosamide Impurity C 1,3-Dibenzyl-urea

RefChem:901281DTXCID0034770215-984-9InChI=1/C15H16N2O/c18-15(16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,16,17,181,3-Dibenzyl-urea1,3-dibenzyl ureadibenzylureaUrea,N,N'-bis(phenylmethyl)-

Database identifiers

CAS: 1466-67-7
PubChem CID: 72889
DTXSID: DTXSID3061710
ChEMBL: CHEMBL504463
UNII: ZV725XJ34V
EC Number: 215-984-9
Nikkaji: J80.122D

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 41.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 219

Physicochemical properties

storage temp.: Sealed in dry,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
color: White to Off-White
FDA UNII: 725 XJ34V · ZV725XJ34V
EPA Substance Registry System: Urea, N,N'-bis(phenylmethyl)- (1466-67-7)
Symbol(GHS): 7 · GHS07,GHS08,GHS09
Signal word: Danger
Hazard statements: 302 · H302-H319-H410-H372
Precautionary statements: 264 · P264-P270-P273-P280-P301+P312-P305+P351+P338-P330-P337+P313-P391-P501
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (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. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

tsca: TSCA listed
Signal word: Danger
Symbol(GHS): GHS07,GHS08,GHS09
Hazard statements: H302-H319-H410-H372
Precautionary statements: P264-P270-P273-P280-P301+P312-P305+P351+P338-P330-P337+P313-P391-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationUrea, N,N'-bis(phenylmethyl)-: INACTIVE

Applications

Uses1,3-Dibenzylurea is used in microwave assisted synthesis, molecular docking and HIV-1 gp 120 CD4 binding inhibition studies of symmetrical N,N’-disubstituted urea/thiourea.