(2-Dimethylaminoethoxy)benzene

HCID 26050
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Basic information

CAS
13468-02-5
Standard SMILES
CN(C)CCOc1ccccc1
InChIKey
RUHVDRGWCIAFLG-UHFFFAOYSA-N
Molecular formula
C10H15NO
Average molar mass
165.23 g/mol
Monoisotopic mass
165.1153641

Names & identifiers

Preferred name
(2-Dimethylaminoethoxy)benzene
IUPAC
N,N-dimethyl-2-phenoxyethanamine
English name
dimethyl(2-phenoxyethyl)amine
Molecular formula
C10H15NO
Molecular weight
165.23

Names & synonyms

N,N-Dimethyl-2-phenoxyethanamine13468-02-5Dimethyl(2-phenoxyethyl)amineEthanamine, N,N-dimethyl-2-phenoxy-N,N-Dimethyl-2-phenoxyethylamine(2-Dimethylaminoethoxy)benzeneETHYLAMINE, N,N-DIMETHYL-2-PHENOXY-BRN 1866238EINECS 236-724-0U3X5WZ87GPalpha-Phenoxy-beta-dimethylaminoethaneDTXSID50158863
Show more names
Dimethyl-2-phenoxyethanamineClavulanate Potassium Impurity 20N,N-Dimethyl-2-phenoxy ethanamine[2-(Dimethylamino)ethyl]phenyl ether
RefChem:395741DTXCID9081354236-724-0MFCD00040016N,N-Dimethyl-2-phenoxyethan-1-amineDomiphen Impurity 7UNII-U3X5WZ87GPphenoxyethyl-N,N-dimethylamine

Database identifiers

CAS
13468-02-5
PubChem CID
26050
DTXSID
DTXSID50158863
ChEMBL
CHEMBL612020
UNII
U3X5WZ87GP
EC Number
236-724-0
Nikkaji
J317.901J

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
12.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
12

Physicochemical properties

Melting point
163 · 163-164 °C(Solv: isopropanol (67-63-0))
Boiling point
232 ℃ · 232℃
Density
0.97 · 0.970
Flash point
67 ℃ · 67℃
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility
Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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

hs_code
2922290090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Applications

UsesN,N-Dimethyl-2-phenoxyethanamine is useful for the preparation of histone deacetylase inhibitors.

Upstream & downstream products

Suppliers50 total

湖北蝶化新材料科技有限公司86-18372897-544 18995560451
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Related reactions

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Compound notes

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