Basic information
- CAS
39905-47-0- Standard SMILES
CCCCCCCCCCOc1ccc(N)cc1- InChIKey
XWGJQNKDSHYJID-UHFFFAOYSA-N- Molecular formula
- C16H27NO
- Average molar mass
- 249.39 g/mol
- Monoisotopic mass
- 249.20926449
Names & identifiers
- Preferred name
- p-Decyloxyaniline
- IUPAC
- 4-decoxyaniline
- English name
- p-Decyloxyaniline
- Molecular formula
- C16H27NO
- Molecular weight
- 249.39
Names & synonyms
p-DecyloxyanilineRefChem:858052839-937-239905-47-04-decoxyanilineANILINE, p-(DECYLOXY)-4-n-Decyloxyaniline4-(Decyloxy)benzenamineBenzenamine, 4-(decyloxy)-M & B 26554-decyloxyphenylamineMFCD00025322
Show more names
m&b2655p-(decyloxy)-anilinTIMTEC-BB SBB008313(4-decoxyphenyl)amine
4-(Decyloxy)anilinep-(Decyloxy)aniline4-DecyloxyanilineBRN 28395624-(Decyloxy)aniline #4-13-00-01019 (Beilstein Handbook Reference)orb1987311SCHEMBL5049181
Database identifiers
- CAS
39905-47-0- PubChem CID
- 38359
- DTXSID
DTXSID10192960- EC Number
- 839-937-2
- Nikkaji
- J447.737E
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Boiling point
- 371.3 · 371.3±15.0 °C(Predicted)
- Density
- 0.943 · 0.943±0.06 g/cm3(Predicted)
- pka
- 5.23 · 5.23±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers22 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
Related reactions
2 records
Compound notes
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