CAS 1823-62-7 2-(4-bromophenoxy)-N,N-diethylethanamine (HCID 423953)

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Basic information

CAS: 1823-62-7
Standard SMILES: CCN(CC)CCOc1ccc(Br)cc1
InChIKey: XKIFTEHOCFPRJE-UHFFFAOYSA-N
Molecular formula: C12H18BrNO
Average molar mass: 272.18 g/mol
Monoisotopic mass: 271.0571763

Names & identifiers

Preferred name: 2-(4-bromophenoxy)-N,N-diethylethanamine
IUPAC: 2-(4-bromophenoxy)-N,N-diethylethanamine
English name: 4-[2-N,N-DIETHYLETHOXY]PHENYL BROMIDE
Molecular formula: C12H18BrNO
Molecular weight: 272.18

Names & synonyms

1823-62-72-(4-bromophenoxy)-N,N-diethylethanamine4-[2-N,N-Diethylethoxy]phenyl bromide[2-(4-bromophenoxy)ethyl]diethylamineMFCD01308420Ethanamine, 2-(4-bromophenoxy)-N,N-diethyl-2-(4-Bromophenoxy)-N,N-diethylethan-1-amine4-(2-diethylamino)ethoxy-bromobenzene[2-(4-bromophenoxy)-ethyl]diethylamineMLS000106852SMR000111228[2-(4-Bromo-phenoxy)-ethyl]-diethyl-amine

Show more names

4-(2-N,N-DIETHYLAMINOETHOXY)BROMOBENZENE

2-(4-bromophenoxy)-N,N-diethyl-ethanamineOprea1_155073cid_423953SCHEMBL1129242CHEMBL1351933BDBM38689DTXSID20329801XKIFTEHOCFPRJE-UHFFFAOYSA-N

Database identifiers

CAS: 1823-62-7
PubChem CID: 423953
DTXSID: DTXSID20329801
ChEMBL: CHEMBL1351933

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 15
Formal charge: 0
Complexity: 154

Physicochemical properties

Boiling point: 115 · 115-124 °C(Press: 1 Torr)
Density: 1.24 · 1.240±0.06 g/cm3(Predicted)
pka: 9.54 · 9.54±0.25(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 233 · P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H332-H335
Precautionary statements: P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501