Basic information
- CAS
95849-38-0- Standard SMILES
c1cc2c(cc1C1CCCN1)OCO2- InChIKey
RFDZPAOUCULWED-UHFFFAOYSA-N- Molecular formula
- C11H13NO2
- Average molar mass
- 191.23 g/mol
- Monoisotopic mass
- 191.09462866
Names & identifiers
- Preferred name
- 2-(1,3-Dioxaindan-5-yl)pyrrolidine
- IUPAC
- 2-(1,3-benzodioxol-5-yl)pyrrolidine
- English name
- 2-Benzo[1,3]dioxol-5-yl-pyrrolidine
- Molecular formula
- C11H13NO2
- Molecular weight
- 191.23
Names & synonyms
2-Benzo[1,3]dioxol-5-yl-pyrrolidine2-(1,3-dioxaindan-5-yl)pyrrolidine2-Benzo(1,3)Dioxol-5-Yl-PyrrolidineRefChem:450411108-855-2891-913-095849-38-02-(2H-1,3-benzodioxol-5-yl)pyrrolidine2-(1,3-benzodioxol-5-yl)pyrrolidine2-(Benzo[d][1,3]dioxol-5-yl)pyrrolidineMFCD02663490Pyrrolidine, 2-(1,3-benzodioxol-5-yl)-
Show more names
2-(Benzodioxol-5-yl)pyrrolidine HCl2-(benzo[d][1,3]dioxol-5-yl)pyrrolidine hydrochloride
SCHEMBL13114832SCHEMBL31021006DTXSID80398290VDA84938AKOS000157215AKOS016343524BS-33405SY185596
Database identifiers
- CAS
95849-38-0- PubChem CID
- 3967692
- DTXSID
DTXSID80398290- EC Number
- 108-855-2、891-913-0
- Nikkaji
- J1.601.729I
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Boiling point
- 293.7 · 293.7±39.0 °C(Predicted)
- Density
- 1.194 · 1.194±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 9.95 · 9.95±0.10(Predicted)
- 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
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.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- 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
Suppliers16 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
湖州澄博生物科技有限公司13626726938
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
北京蓝博中兴科技有限公司010-56330744 15210344275 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…