Basic information
- CAS
65081-75-6- Standard SMILES
COC(=O)c1cccc(NC(N)=O)c1- InChIKey
CANIDQGAPAHUJM-UHFFFAOYSA-N- Molecular formula
- C9H10N2O3
- Average molar mass
- 194.19 g/mol
- Monoisotopic mass
- 194.06914218
Names & identifiers
- Preferred name
- Methyl 3-(carbamoylamino)benzoate
- IUPAC
- methyl 3-(carbamoylamino)benzoate
- English name
- Methyl 3-[(aminocarbonyl)amino]benzoate
- Molecular formula
- C9H10N2O3
- Molecular weight
- 194.19
Names & synonyms
65081-75-6methyl 3-(carbamoylamino)benzoateDTXSID10384929RefChem:354737DTXCID30335953Methyl 3-ureidobenzoatemethyl 3-[(aminocarbonyl)amino]benzoateMFCD00219842Benzoic acid,3-[(aminocarbonyl)amino]-, methyl ester3-ureido-benzoic acid methyl esterMethyl3-ureidobenzoateOprea1_552024
Show more names
Benzoic acid, 3-[(aminocarbonyl)amino]-, methyl ester
SCHEMBL308570CANIDQGAPAHUJM-UHFFFAOYSA-NHMS1738L11QCA08175AKOS001200765SY171823EN300-23785G41769
Database identifiers
- CAS
65081-75-6- PubChem CID
- 2822841
- DTXSID
DTXSID10384929- EC Number
- 809-480-3
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- storage temp.
- Store at room temperature
- form
- solid
- Appearance
- White to off-white Solid
- InChI
- 1S/C9H10N2O3/c1-14-8(12)6-3-2-4-7(5-6)11-9(10)13/h2-5H,1H3,(H3,10,11,13)
- InChIKey
- CANIDQGAPAHUJM-UHFFFAOYSA-N
- SMILES
- O=C(N)NC1=CC=CC(C(OC)=O)=C1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (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 CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
2 records
Compound notes
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