Basic information
- CAS
182315-28-2- Standard SMILES
NC(=O)NCc1ccc(N)cc1- InChIKey
RGYZJIDZPOLIHW-UHFFFAOYSA-N- Molecular formula
- C8H11N3O
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.09021198
Names & identifiers
- Preferred name
- ((4-Aminophenyl)methyl)urea
- IUPAC
- (4-aminophenyl)methylurea
- English name
- (4-Amino-benzyl)-urea
- Molecular formula
- C8H11N3O
- Molecular weight
- 165.19
Names & synonyms
[(4-aminophenyl)methyl]urea((4-Aminophenyl)methyl)ureaRefChem:390142676-273-0(4-amino-benzyl)-urea182315-28-21-(4-aminobenzyl)urea(4-AMINOPHENYL)METHYLUREAUrea, N-[(4-aminophenyl)methyl]-MFCD03839817(4-Aminobenzyl)urea4-amino-benzyl-urea
Show more names
SCHEMBL8245710N-[(4-Aminophenyl)methyl]ureaDTXSID50654097RGYZJIDZPOLIHW-UHFFFAOYSA-NHHA31528AKOS010096755SB75858AS-35348
Database identifiers
- CAS
182315-28-2- PubChem CID
- 40423978
- DTXSID
DTXSID50654097- EC Number
- 676-273-0
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- Boiling point
- 361.9 · 361.9±34.0 °C(Predicted)
- Density
- 1.231 · 1.231±0.06 g/cm3(Predicted)
- pka
- 13.96 · 13.96±0.46(Predicted)
- Symbol(GHS)
- 6 · GHS06,GHS07
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P322-P330-P332+P313-P337+P313-P340-P361-P362-P363-P403-P403+P233-P405-P501
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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. 3 (50%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS07
- Hazard statements
- H301-H311-H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P322-P330-P332+P313-P337+P313-P340-P361-P362-P363-P403-P403+P233-P405-P501
Chemistry & industry
Suppliers6 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
2 records
Compound notes
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