Basic information
- CAS
35166-80-4- Standard SMILES
O=Cc1ccccc1OCCN1CCCC1- InChIKey
NGJNGIWUXGFOJB-UHFFFAOYSA-N- Molecular formula
- C13H17NO2
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.12592878
Names & identifiers
- Preferred name
- 2-(2-Pyrrolidin-1-yl-ethoxy)-benzaldehyde
- IUPAC
- 2-(2-pyrrolidin-1-ylethoxy)benzaldehyde
- English name
- 2-(2-Pyrrolidin-1-yl-ethoxy)-benzaldehyde
- Molecular formula
- C13H17NO2
- Molecular weight
- 219.28
Names & synonyms
35166-80-42-(2-Pyrrolidin-1-yl-ethoxy)-benzaldehyde2-(2-(pyrrolidin-1-yl)ethoxy)benzaldehyde2-(2-pyrrolidin-1-ylethoxy)benzaldehyde2-[2-(pyrrolidin-1-yl)ethoxy]benzaldehydeBenzaldehyde, 2-[2-(1-pyrrolidinyl)ethoxy]-SCHEMBL1892119DTXSID30424710NGJNGIWUXGFOJB-UHFFFAOYSA-NAKOS000103856DA-19616CS-0451550
Show more names
AKOS BC-20642-[2-(1-Pyrrolidinyl)ethoxy]benzaldehyde
Database identifiers
- CAS
35166-80-4- PubChem CID
- 6504227
- DTXSID
DTXSID30424710
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
- 214
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers3 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
Related reactions
1 records
Compound notes
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