CAS 717-00-0 1-Benzyluracil (HCID 237962)

Substructure search Find similar structures

Basic information

CAS: 717-00-0
Standard SMILES: O=c1ccn(Cc2ccccc2)c(=O)[nH]1
InChIKey: VYBPQVFJJKEBLA-UHFFFAOYSA-N
Molecular formula: C11H10N2O2
Average molar mass: 202.21 g/mol
Monoisotopic mass: 202.07422756

Names & identifiers

Preferred name: 1-Benzyluracil
IUPAC: 1-benzylpyrimidine-2,4-dione
English name: 1-benzylpyrimidine-2,4-dione
Molecular formula: C11H10N2O2
Molecular weight: 202.21

Names & synonyms

1-Benzyluracil717-00-0DTXSID80285494RefChem:75019DTXCID00236645632-560-21-benzylpyrimidine-2,4(1h,3h)-dione1-benzylpyrimidine-2,4-dione2,4(1H,3H)-Pyrimidinedione,1-(phenylmethyl)-MFCD00090895N-benzyluracilNSC42056

Show more names

2,4(1H,3H)-Pyrimidinedione, 1-(phenylmethyl)-

1-benzyl-1,2,3,4-tetrahydropyrimidine-2,4-dioneCBMicro_025893ChemDiv2_001067Cambridge id 5606159Oprea1_429681Oprea1_492450CHEMBL440870SCHEMBL2800300

Database identifiers

CAS: 717-00-0
PubChem CID: 237962
DTXSID: DTXSID80285494
ChEMBL: CHEMBL440870
EC Number: 632-560-2
Nikkaji: J503.867G

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 49.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 293

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): 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 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501