Basic information
- CAS
788-17-0- Standard SMILES
CCC(C)Nc1ccc(Nc2ccccc2)cc1- InChIKey
LIAVGCGPNJLGQT-UHFFFAOYSA-N- Molecular formula
- C16H20N2
- Average molar mass
- 240.34 g/mol
- Monoisotopic mass
- 240.16264865
Names & identifiers
- Preferred name
- 1,4-Benzenediamine, N1-(1-methylpropyl)-N4-phenyl-
- IUPAC
- 4-N-butan-2-yl-1-N-phenylbenzene-1,4-diamine
- English name
- N-(1-methylpropyl)-N'-phenylbenzene-1,4-diamine
- Molecular formula
- C16H20N2
- Molecular weight
- 240.34
Names & synonyms
1,4-Benzenediamine, N-(1-methylpropyl)-N'-phenyl-EINECS 212-330-41,4-Benzenediamine, N1-(1-methylpropyl)-N4-phenyl-DTXSID90862412N-(1-Methylpropyl)-N'-phenylbenzene-1,4-diamineRefChem:415911DTXCID10811184212-330-4788-17-0SCHEMBL93902SCHEMBL28731782LIAVGCGPNJLGQT-UHFFFAOYSA-N
Show more names
N-sec-Butyl-N''-phenyl-p-phenylenediamine4-N-butan-2-yl-1-N-phenylbenzene-1,4-diamineN-(1-Methylpropyl)-N'-phenyl-1,4-benzenediamine1,4-Benzenediamine, N-(1-methylpropyl)-N-phenyl-
N-Phenyl-N'-sec-butyl-p-phenylendiaminNS00042233N~1~-(Butan-2-yl)-N~4~-phenylbenzene-1,4-diamine
Database identifiers
- CAS
788-17-0- PubChem CID
- 102490
- DTXSID
DTXSID90862412- EC Number
- 212-330-4
- Nikkaji
- J193.180F
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Melting point
- 49 · 49-50 °C
- Boiling point
- 190 · 190-193 °C(Press: 2 Torr)
- Density
- 1.068 · 1.068±0.06 g/cm3(Predicted)
- pka
- 6.68 · 6.68±0.32(Predicted)
- EPA Substance Registry System
- 1 · 1,4-Benzenediamine, N-(1-methylpropyl)-N'-phenyl- (788-17-0)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 317 · H317-H410
- Precautionary statements
- 273 · P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- TSCA
- TSCA listed
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 16 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1,4-Benzenediamine, N-(1-methylpropyl)-N'-phenyl-
1,4-Benzenediamine, N-(1-methylpropyl)-N'-phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H317-H410
- Precautionary statements
- P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Benzenediamine, N1-(1-methylpropyl)-N4-phenyl-: ACTIVE
Suppliers2 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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