Basic information
- CAS
26116-47-2- Standard SMILES
O=Cc1ccc(OCCN2CCCC2)cc1- InChIKey
BBPDRNOYMGEXQX-UHFFFAOYSA-N- Molecular formula
- C13H17NO2
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.12592879
Names & identifiers
- Preferred name
- 4-(2-(Pyrrolidin-1-yl)ethoxy)benzaldehyde
- IUPAC
- 4-(2-pyrrolidin-1-ylethoxy)benzaldehyde
- English name
- 4-[2-(1-pyrrolidinyl)ethoxy]benzaldehyde
- Molecular formula
- C13H17NO2
- Molecular weight
- 219.28
Names & synonyms
4-[2-(pyrrolidin-1-yl)ethoxy]benzaldehyde4-(2-(pyrrolidin-1-yl)ethoxy)benzaldehydeRefChem:512095827-005-826116-47-24-(2-pyrrolidin-1-ylethoxy)benzaldehyde4-(2-N,N-Pyrrolidinoethoxy)benzaldehyde4-[2-(1-Pyrrolidinyl)ethoxy]benzaldehydeMFCD05148427SCHEMBL2249200SCHEMBL7590612DTXSID50359631
Show more names
Benzaldehyde, 4-[2-(1-pyrrolidinyl)ethoxy]-
BBPDRNOYMGEXQX-UHFFFAOYSA-NBBA11647AKOS000103111NCGC00339542-01DA-216534-(2-pyrrolidin-1-yl-ethoxy)benzaldehydeEN300-35478G20998
Database identifiers
- CAS
26116-47-2- PubChem CID
- 976844
- DTXSID
DTXSID50359631- EC Number
- 827-005-8
- Nikkaji
- J2.150.966C
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Melting point
- 228 · 228-230 °C
- Boiling point
- 363.4 · 363.4±22.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 9.5 · 9.50±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H335-H318-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H335-H318-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
5 records
Compound notes
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