2,4-Dimethylphenylurea

HCID 853638

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Basic information

CAS: 2990-02-5
Standard SMILES: Cc1ccc(NC(N)=O)c(C)c1
InChIKey: GKEHHLJOYZDXMI-UHFFFAOYSA-N
Molecular formula: C9H12N2O
Average molar mass: 164.2 g/mol
Monoisotopic mass: 164.09496301

Names & identifiers

Preferred name: 2,4-Dimethylphenylurea
IUPAC: (2,4-dimethylphenyl)urea
English name: 2,4-Dimethylphenylurea
Molecular formula: C9H12N2O
Molecular weight: 164.2

Names & synonyms

2,4-Dimethylphenylurea2990-02-51-(2,4-dimethylphenyl)urea(2,4-dimethylphenyl)ureaN-(2,4-dimethylphenyl)ureaMFCD000254092,4-xylylurea2,4 -xylylurea2,4-dimethylphenyl ureaSCHEMBL1998789SCHEMBL5527378SCHEMBL6601094

Show more names

N-(2,4-Xylyl)urea1-(2,4-XYLYL)UREAAdagrasib Impurity 172,4-DimethylphenylcarbamideUrea, N-(2,4-dimethylphenyl)-

SCHEMBL31226789DTXSID00357460GKEHHLJOYZDXMI-UHFFFAOYSA-Namino-N-(2,4-dimethylphenyl)amideAKOS000117497FS-1542DB-019998ST50409612

Database identifiers

CAS: 2990-02-5
PubChem CID: 853638
DTXSID: DTXSID00357460
Nikkaji: J1.133.790B

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 170

Physicochemical properties

Melting point: 204 · 204-206°C
Boiling point: 264 ℃ · 264℃
Density: 1.154 · 1.154
Flash point: 114 ℃ · 114℃
storage temp.: 2 · 2-8°C
pka: 14.61 · 14.61±0.50(Predicted)
CAS DataBase Reference: 2990 · 2990-02-5(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 233 · P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HazardClass: IRRITANT

Safety & regulation

Safety data

risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501