Butyric acid, 4-diethylamino-, ethyl ester

HCID 45407
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Basic information

CAS
63918-33-2
Standard SMILES
CCOC(=O)CCCN(CC)CC
InChIKey
DJGCAHHIFOEPPU-UHFFFAOYSA-N
Molecular formula
C10H21NO2
Average molar mass
187.28 g/mol
Monoisotopic mass
187.15722891

Names & identifiers

Preferred name
Butyric acid, 4-diethylamino-, ethyl ester
IUPAC
ethyl 4-(diethylamino)butanoate
English name
4-(Diethylamino)butyric acid ethyl ester
Molecular formula
C10H21NO2
Molecular weight
187.28

Names & synonyms

DF 495Ethyl-gamma-diethylaminobutyrateBUTYRIC ACID, 4-DIETHYLAMINO-, ETHYL ESTER63918-33-2BRN 1768179DTXSID602136944-04-00-02602 (Beilstein Handbook Reference)RefChem:331327DTXCID90136185ethyl 4-(diethylamino)butanoate4-(Diethylamino)butyric acid ethyl esterethyl-4-diethylaminobutanoate
Show more names
DF-495Butanoic acid, 4-(diethylamino)-, ethyl ester
SCHEMBL10851453DJGCAHHIFOEPPU-UHFFFAOYSA-Ngamma-diethylamino-butyric acid ethyl esterDB-315873

Database identifiers

CAS
63918-33-2
PubChem CID
45407
DTXSID
DTXSID60213694
Nikkaji
J65.881B

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
13

Physicochemical properties

Melting point
109 · 109-111 °C
Boiling point
98 °C · 98 °C(Press: 12 Torr)
Density
0.9103 g/cm3 · 0.9103 g/cm3(Temp: 13 °C)
pka
10.25 · 10.25±0.25(Predicted)

Related reactions

1 records
New reaction record

Compound notes

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