Basic information
- CAS
4175-37-5- Standard SMILES
CCCCCCCCc1ccc(Nc2ccccc2)cc1- InChIKey
DMLLDZGHGNLZNW-UHFFFAOYSA-N- Molecular formula
- C20H27N
- Average molar mass
- 281.4 g/mol
- Monoisotopic mass
- 281.21434987
Names & identifiers
- Preferred name
- 4-Octyl-N-phenylaniline
- IUPAC
- 4-octyl-N-phenylaniline
- English name
- 4-octyl-N-phenylaniline
- Molecular formula
- C20H27N
- Molecular weight
- 281.43508
Names & synonyms
4-Octyl-N-phenylaniline4175-37-54-OctyldiphenylamineBenzenamine, 4-octyl-N-phenyl-EINECS 224-040-5DTXSID3063334RefChem:526073DTXCID0039980224-040-5Benzenamine,4-octyl-N-phenyl-p-octyldiphenylamineMFCD01311739
Show more names
4-Octylphenylphenylamine4-octyl-n-phenyl-benzenamin4-OCTYL-N-PHENYLBENZENAMIDE4-octyl-N-phenylaniline 4175-37-5
4-octyl-N-phenyl-aniline4-Octyl-N-phenyl-benzenamineSCHEMBL449939SCHEMBL4391335DMLLDZGHGNLZNW-UHFFFAOYSA-NAKOS025310662GS-3143SB82313
Database identifiers
- CAS
4175-37-5- PubChem CID
- 61335
- DTXSID
DTXSID3063334- EC Number
- 224-040-5
- Nikkaji
- J37.722H
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Melting point
- 41 · 41-43 °C
- Boiling point
- 409.3 · 409.3±24.0 °C(Predicted)
- Density
- 0.979 · 0.979±0.06 g/cm3(Predicted)
- pka
- 1.19 · 1.19±0.40(Predicted)
- InChI
- InChI=1S/C20H27N/c1-2-3-4-5-6-8-11-18-14-16-20(17-15-18)21-19-12-9-7-10-13-19/h7,9-10,12-17,21H,2-6,8,11H2,1H3
- InChIKey
- DMLLDZGHGNLZNW-UHFFFAOYSA-N
- SMILES
- C1(NC2=CC=CC=C2)=CC=C(CCCCCCCC)C=C1
- EPA Substance Registry System
- 4 · 4-Octyldiphenylamine (4175-37-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H315-H319-H335-H413
- Precautionary statements
- 261 · P261-P264-P271-P273-P280-P302+P352-P304+P340+P312-P305+P351+P338-P312-P332+P313-P337+P313-P403+P233-P405-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.
Hazard information
Regulatory Information
Chemical: Benzenamine, 4-octyl-N-phenyl-
Benzenamine, 4-octyl-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.
Other Safety InformationIMAP assessments - Benzenamine, 4-octyl-N-phenyl-: Human health tier I assessment
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H303-H315-H319-H335-H413
- Precautionary statements
- P261-P264-P271-P273-P280-P302+P352-P304+P340+P312-P305+P351+P338-P312-P332+P313-P337+P313-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 4-octyl-N-phenyl-: ACTIVE
Suppliers52 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
湖北宥澄新材料科技有限公司17764017698 13163370568 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
湖北云镁科技有限公司027-59206672 18327059871 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
上海艾梯西生物科技有限公司18721763493 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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