Basic information
- CAS
63668-33-7- Standard SMILES
O=C(NCc1cccnc1)NC1CCCCC1- InChIKey
XXSTXXTVGPRZSU-UHFFFAOYSA-N- Molecular formula
- C13H19N3O
- Average molar mass
- 233.31 g/mol
- Monoisotopic mass
- 233.15281224
Names & identifiers
- Preferred name
- 1-Cyclohexyl-3-(3-pyridylmethyl)urea
- IUPAC
- 1-cyclohexyl-3-(pyridin-3-ylmethyl)urea
Names & synonyms
1-CYCLOHEXYL-3-(3-PYRIDYLMETHYL)UREARefChem:431686665-611-21-cyclohexyl-3-(pyridin-3-ylmethyl)urea63668-33-71-Cyclohexyl-3-pyridin-3-ylmethyl-ureaUrea, N-cyclohexyl-N'-(3-pyridinylmethyl)-1-cyclohexyl-3-[(pyridin-3-yl)methyl]ureaN-Cyclohexyl-N'-[(pyridin-3-yl)methyl]ureaOprea1_575377MLS000075930CHEMBL1871337
Show more names
SCHEMBL14406194DTXSID80349500HMS1617E04HMS2490I15HMS5170P07CCG-24854AKOS000520440SMR000011260
Database identifiers
- CAS
63668-33-7- PubChem CID
- 650313
- DTXSID
DTXSID80349500- ChEMBL
CHEMBL1871337- EC Number
- 665-611-2
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 239
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 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
Loading…