Basic information
- CAS
114-39-6- Standard SMILES
NC(=O)Nc1ccccc1N- InChIKey
BTNSLPQCLXHERR-UHFFFAOYSA-N- Molecular formula
- C7H9N3O
- Average molar mass
- 151.17 g/mol
- Monoisotopic mass
- 151.07456192
Overview
structure in first source
Names & identifiers
- Preferred name
- (2-Aminophenyl)urea
- IUPAC
- (2-aminophenyl)urea
- English name
- Urea, N-(2-aminophenyl)-
- Molecular formula
- C7H9N3O
- Molecular weight
- 151.17
Names & synonyms
(2-aminophenyl)ureaRefChem:905760N-(2-AMINOPHENYL)UREA114-39-61-(2-aminophenyl)urea(2-Amino-phenyl)-ureaUrea, N-(2-aminophenyl)-amino-N-(2-aminophenyl)amideSCHEMBL250263DTXSID301314849STK3704311-amino-N-(2-aminophenyl)methanamide
Show more names
AKOS000128974ST50898712
Database identifiers
- CAS
114-39-6- PubChem CID
- 5193826
- DTXSID
DTXSID301314849- Nikkaji
- J30.216C
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 149
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 298 · 298.0±23.0 °C(Predicted)
- Density
- 1.35 · 1.350±0.06 g/cm3(Predicted)
- Melting point
- 307 °C · 307 °C
- pka
- 14.45 · 14.45±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
合肥启明医药科技有限公司15105695099 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
苏州美诺医药科技有限公司0512-69561983 13914027025 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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