4-(Diethylamino)-2-ethoxybenzaldehyde

TIMTEC-BB SBB011478 · CHEMBRDG-BB 6876953 · ASINEX-REAG BAS 13521039 · 4-Diethylamino-2-ethoxy-benzaldehyde · Benzaldehyde, 4-(diethylamino)-2-ethoxy- · 4-(diethylamino)-2-ethoxybenzaldehyde(SALTDATA: FREE)

https://huagongshe.com/en/chemical/958708

4-(Diethylamino)-2-ethoxybenzaldehyde molecular structure

Identifiers & Physical Properties

CAS No.	61657-61-2
Molecular formula	C13H19NO2
Average molar mass	221.29 g/mol
Monoisotopic mass	221.14157885 g/mol
SMILES	CCOc1cc(N(CC)CC)ccc1C=O
InChIKey	XPSLOHMBERQXIX-UHFFFAOYSA-N
PubChem CID	958708
DTXSID	DTXSID80359321

Chemical & Physical Properties

XLogP	2.6
Topological polar surface area	29.5
Hydrogen bond donors	0
Hydrogen bond acceptors	3
Rotatable bonds	6
Heavy atoms	16
Formal charge	0
Complexity	204
Melting point	45.8 °C
Boiling point	349.3±27.0 °C(Predicted)
Density	1.040±0.06 g/cm3(Predicted)
pKa (acidity coefficient)	3.00±0.42(Predicted)
Physical state	solid
InChI	1S/C13H19NO2/c1-4-14(5-2)12-8-7-11(10-15)13(9-12)16-6-3/h7-10H,4-6H2,1-3H3
InChIKey	XPSLOHMBERQXIX-UHFFFAOYSA-N
SMILES	CCN(CC)C(C=C1)=CC(OCC)=C1C([H])=O
UNSPSC Code	12352200
NACRES	NA.21
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H302
GHS precautionary statements	P301+P312+P330
Hazard symbols	Xi
Hazard class	IRRITANTAcute Tox. 4 Oral
Storage class	11 - Combustible Solids

Safety & Regulations

Signal word	Warning
GHS pictogram	GHS07
Hazard symbols	Xi
Hazard class	IRRITANTAcute Tox. 4 Oral
Storage class	11 - Combustible Solids
GHS hazard statements	H302
GHS precautionary statements	P301+P312+P330