4-(Diethylamino)-2-hydroxybenzaldehyde

HCID 87293CAS 17754-90-4
Substructure searchFind similar structures

Basic information

Standard SMILES
CCN(CC)c1ccc(C=O)c(O)c1
InChIKey
XFVZSRRZZNLWBW-UHFFFAOYSA-N
Molecular formula
C11H15NO2
Average molar mass
193.24 g/mol
Monoisotopic mass
193.11027872

Overview

4-(Diethylamino)salicylaldehyde is a hydroxybenzaldehyde.

Names & identifiers

Preferred name
4-(Diethylamino)-2-hydroxybenzaldehyde
IUPAC
4-(diethylamino)-2-hydroxybenzaldehyde
English name
4-(Diethylamino)salicylaldehyde
Molecular formula
C11H15NO2
Molecular weight
193.24

Names & synonyms

4-(Diethylamino)salicylaldehyde17754-90-44-(Diethylamino)-2-hydroxybenzaldehydep-(Diethylamino)salicylaldehydeDTXSID5022271OU5NFU4681DTXCID102271RefChem:515798241-745-3Benzaldehyde, 4-(diethylamino)-2-hydroxy-4-Diethylaminosalicylaldehyde4-(N,N-Diethylamino)salicylaldehyde
Show more names
4-(diethylamino)salicyladehyde-6-4(3H6+3)amino)saL5]thieno[28-tetrahydro-24-d]pyriMidine-2
4-Diethylamino-2-hydroxybenzaldehydeMFCD00003326Salicylaldehyde, 4-(diethylamino)-4-diethylamino-2-hydroxy-benzaldehyde4-(diethylamino)-2-hydroxy-benzaldehyde4-(N,N-diethylamino)-2-hydroxybenzaldehyde2-Hydroxy-4-diethylaminobenzaldehydeEINECS 241-745-3

Database identifiers

CAS
17754-90-4
PubChem CID
87293
DTXSID
DTXSID5022271
ChEMBL
CHEMBL3561306
ChEBI
CHEBI:183489
UNII
OU5NFU4681
EC Number
241-745-3
Nikkaji
J30.756D

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
40.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
14

Experimental & physicochemical properties

Collision Cross Section143.7 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5022271]

Physicochemical properties

Melting point
60 · 60-62 °C (lit.)
Boiling point
329.46 °C · 329.46°C (rough estimate)
Density
1.0945 · 1.0945 (rough estimate)
refractive index
1.5041 · 1.5041 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
DMSO (Slightly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (84.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 58 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (84.5%)

Safety data

wgk
2
tsca
TSCA listed
rtecs
CU5615150
hs_code
29225090
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzaldehyde, 4-(diethylamino)-2-hydroxy-: ACTIVE

Applications

Uses4-(Diethylamino)salicylaldehyde was used in the synthesis of Schiff-base ligand by monocondensation with diaminomaleonitrile.

Uses4-(Diethylamino)salicylaldehyde is usually used in the synthesis of Schiff-base ligand by monocondensation with diaminomaleonitrile.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Additional notes

DefinitionChEBI: 4-(Diethylamino)salicylaldehyde is a hydroxybenzaldehyde.

Related reactions

35 records
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Linked notes

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