4,4'-Hexamethylenebis(1-phenylsemicarbazide)
Basic information
- CAS
102600-73-7- Standard SMILES
O=C(NCCCCCCNC(=O)NNc1ccccc1)NNc1ccccc1- InChIKey
OXEYVEYRYXUXMZ-UHFFFAOYSA-N- Molecular formula
- C20H28N6O2
- Average molar mass
- 384.5 g/mol
- Monoisotopic mass
- 384.22737416
Names & identifiers
- Preferred name
- 4,4'-Hexamethylenebis(1-phenylsemicarbazide)
- IUPAC
- 1-anilino-3-[6-(anilinocarbamoylamino)hexyl]urea
Names & synonyms
4,4'-Hexamethylenebis(1-phenylsemicarbazide)102600-73-7RefChem:506699667-444-01-anilino-3-[6-(anilinocarbamoylamino)hexyl]ureaCHEMBL305167N,N'-(Hexane-1,6-diyl)bis(2-phenylhydrazinecarboxamide)AKOS0244310552-phenyl-N-(6-{[(2-phenylhydrazino)carbonyl]amino}hexyl)hydrazinecarboxamide
Database identifiers
- CAS
102600-73-7- PubChem CID
- 493595
- ChEMBL
CHEMBL305167- EC Number
- 667-444-0
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 396
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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