4-(4-Tert-butylphenoxy)aniline

HCID 82498
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Basic information

CAS
145157-87-5
Standard SMILES
CC(C)(C)c1ccc(Oc2ccc(N)cc2)cc1
InChIKey
FHOZTGQNSUZCIN-UHFFFAOYSA-N
Molecular formula
C16H19NO
Average molar mass
241.33 g/mol
Monoisotopic mass
241.14666423

Names & identifiers

Preferred name
4-(4-Tert-butylphenoxy)aniline
IUPAC
4-(4-tert-butylphenoxy)aniline
English name
4-AMINO-4'-TERT BUTYL DIPHENYL ETHER
Molecular formula
C16H19NO
Molecular weight
241.33

Names & synonyms

4-(4-tert-butylphenoxy)aniline56705-89-6145157-87-54-(4-(tert-Butyl)phenoxy)aniline4-Amino-4'-tert butyl diphenyl etherMLS0006865434-Amino-4'-tert butyl diphenyletherPD096053SMR0002681914-AMINO-4/'-TERT BUTYL DIPHENYL ETHERcid_82498SCHEMBL554687
Show more names
4-(4-butylphenoxy)BenzenamineBenzenamine, 4-(4-butylphenoxy)-4-[4-(TERT-BUTYL)PHENOXY]ANILINE
CHEMBL1459578BDBM68082DTXSID30275789FHOZTGQNSUZCIN-UHFFFAOYSA-NHMS2528C114-(4-tert-butylphenoxy)phenylamineSTK259699[4-(4-tert-butylphenoxy)phenyl]amine

Database identifiers

CAS
145157-87-5
PubChem CID
82498
DTXSID
DTXSID30275789
ChEMBL
CHEMBL1459578
Nikkaji
J413.901A

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
35.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
18

Physicochemical properties

Boiling point
373.431 · 373.431±35.00 °C(Press: 760.00 Torr)(predicted)
Density
1.058 · 1.058±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka
4.855 · 4.855±0.10(predicted)
Hazard Codes
Xi
HazardClass
IRRITANT

Safety & regulation

Safety data

hazard_code
Xi
hazard_class
IRRITANT

Chemistry & industry

Suppliers1 total

重庆卡兰医药有限公司[email protected]

Related reactions

2 records
New reaction record

Compound notes

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