Basic information
- CAS
59276-03-8- Standard SMILES
O=CNCc1cccc(CNC=O)c1- InChIKey
ZUUAKXMTKFCWJM-UHFFFAOYSA-N- Molecular formula
- C10H12N2O2
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.08987763
Names & identifiers
- Preferred name
- N-(3-Formylaminomethyl-benzyl)-formamide
- IUPAC
- N-[[3-(formamidomethyl)phenyl]methyl]formamide
Names & synonyms
N-(3-FORMYLAMINOMETHYL-BENZYL)-FORMAMIDERefChem:826593684-785-0Formamide, N,N'-[1,3-phenylenebis(methylene)]bis-59276-03-8SCHEMBL8750958DTXSID80341943ZUUAKXMTKFCWJM-UHFFFAOYSA-NAKOS0243227123-[(Formylamino)methyl]benzylformamide #N,N'-[1,3-Phenylenebis(methylene)]diformamide
Database identifiers
- CAS
59276-03-8- PubChem CID
- 577187
- DTXSID
DTXSID80341943- EC Number
- 684-785-0
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 167
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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