4-(Dipropylamino)benzaldehyde
Basic information
- CAS
613-28-5- Standard SMILES
CCCN(CCC)c1ccc(C=O)cc1- InChIKey
HDOZLDYBGNJMMZ-UHFFFAOYSA-N- Molecular formula
- C13H19NO
- Average molar mass
- 205.3 g/mol
- Monoisotopic mass
- 205.14666423
Overview
a potent, reversible inhibitor of mouse and human class I aldehyde dehydrogenase; structure given in first source
Names & identifiers
- Preferred name
- 4-(Dipropylamino)benzaldehyde
- IUPAC
- 4-(dipropylamino)benzaldehyde
- English name
- p-(dipropylamino)benzaldehyde
- Molecular formula
- C13H19NO
- Molecular weight
- 205.3
Names & synonyms
4-(dipropylamino)benzaldehyde613-28-5Benzaldehyde, 4-(dipropylamino)-p-(Dipropylamino)benzaldehyde4-(N,N-Dipropylamino)benzaldehydeRU88O0QKA9NSC-156559DTXSID3060617RefChem:8579474-DPABDTXCID1042996210-334-0
Show more names
TBB000513NSC156559ZINC01583083
4-dipropylamino-benzaldehydeMFCD010142464-(N,N'-Dipropylamino)-benzaldehydeEINECS 210-334-0NSC 1565594-dipropylaminobenzaldehydeUNII-RU88O0QKA9p-di-n-propylaminobenzaldehyde
Database identifiers
- CAS
613-28-5- PubChem CID
- 69171
- DTXSID
DTXSID3060617- ChEMBL
CHEMBL5082115- UNII
- RU88O0QKA9
- EC Number
- 210-334-0
- Nikkaji
- J69.899G
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Boiling point
- 180 · 180-182 °C(Press: 4 Torr)
- Density
- 1 · 1.000±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.35 · 2.35±0.32(Predicted)
- Appearance
- Light yellow to yellow Liquid
- FDA UNII
- 88 O0QKA9 · RU88O0QKA9
- EPA Substance Registry System
- 4 · Benzaldehyde, 4-(dipropylamino)- (613-28-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzaldehyde, 4-(dipropylamino)-: INACTIVE
Related reactions
6 records
Compound notes
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