Basic information
- CAS
946715-13-5- Standard SMILES
CCCCOC1CCNC1- InChIKey
WCVWKQFHZQBECR-UHFFFAOYSA-N- Molecular formula
- C8H17NO
- Average molar mass
- 143.23 g/mol
- Monoisotopic mass
- 143.13101417
Names & identifiers
- Preferred name
- 3-Butoxypyrrolidine
- IUPAC
- 3-butoxypyrrolidine
- English name
- 3-BUTOXYPYRROLIDINE
- Molecular formula
- C8H17NO
- Molecular weight
- 143.23
Names & synonyms
3-BUTOXYPYRROLIDINE946715-13-53-Butoxy-pyrrolidine(3R)-3-butoxypyrrolidineSCHEMBL2632683DTXSID20663050MFCD08687161AKOS005263851SB40162DB-080002CS-0297755G80391
Show more names
Pyrrolidine, 3-butoxy-(RS)-3-Butoxy-pyrrolidine HCl(RS)-3-Butoxy-pyrrolidine hydrochloride
EN300-1839365F710469
Database identifiers
- CAS
946715-13-5- PubChem CID
- 45075463
- DTXSID
DTXSID20663050
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 85.3
Physicochemical properties
- Boiling point
- 192.5 · 192.5±33.0 °C(Predicted)
- Density
- 0.91 · 0.91±0.1 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 9.54 · 9.54±0.10(Predicted)
- Appearance
- brown liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers3 total
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海智乾生物科技有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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