1-(4-Aminophenyl)-1-hexanone
Basic information
- CAS
38237-76-2- Standard SMILES
CCCCCC(=O)c1ccc(N)cc1- InChIKey
YDQJFPLRVSPPGE-UHFFFAOYSA-N- Molecular formula
- C12H17NO
- Average molar mass
- 191.27 g/mol
- Monoisotopic mass
- 191.13101417
Names & identifiers
- Preferred name
- 1-(4-Aminophenyl)-1-hexanone
- IUPAC
- 1-(4-aminophenyl)hexan-1-one
- English name
- 4-aminohexanoylphenone
- Molecular formula
- C12H17NO
- Molecular weight
- 191.27
Names & synonyms
38237-76-24-AminohexanoylphenonePara-aminohexanoylphenoneDTXSID401916281-(4-Aminophenyl)-1-hexanoneRefChem:518235DTXCID801141194'-Aminohexanophenone1-(4-aminophenyl)hexan-1-oneMFCD01723226p-Hexanoylanilinep-Amino caprophenone
Show more names
4'-Aminohexanophenone >1-(4-Aminophenyl)hexan-1-one1-Hexanone, 1-(4-aminophenyl)-4''-AMINOHEXANOPHENONE,98.0+%(GC)(T)4′-Aminohexanophenone, CAS 38237-76-2
Caprophenone, p-amino-BRN 27185244-HexanoylanilineHEXANOPHENONE, 4'-AMINO-4-14-00-00184 (Beilstein Handbook Reference)SCHEMBL3792565YDQJFPLRVSPPGE-UHFFFAOYSA-NAKOS013154330
Database identifiers
- CAS
38237-76-2- PubChem CID
- 37983
- DTXSID
DTXSID40191628- EC Number
- 677-116-9
- Nikkaji
- J54.008K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Melting point
- 85 °C · 85 °C
- Boiling point
- 327.03 °C · 327.03°C (rough estimate)
- Density
- 1.0096 · 1.0096 (rough estimate)
- refractive index
- 1.522 · 1.5220 (estimate)
- solubility
- soluble in Methanol
- form
- powder to crystalline
- color
- White to Light red to Green
- Symbol(GHS)
- 6 · GHS06,GHS07
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319
- Precautionary statements
- 264 · P264-P270-P280-P301+P310+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P405-P501
- RIDADR
- 2811 · 2811
- RTECS
- 4450000 · MP4450000
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 2922390090 · 2922390090
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- rtecs
- MP4450000
- ridadr
- 2811
- hs_code
- 2922390090
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS07
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H301-H315-H319
- Precautionary statements
- P264-P270-P280-P301+P310+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P405-P501
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Related reactions
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Compound notes
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