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Basic information
- CAS
1330286-47-9- Standard SMILES
CC(C)(C)OC(=O)N1CC(F)CC1C#N- InChIKey
QAKRZINKSNCLEV-UHFFFAOYSA-N- Molecular formula
- C10H15FN2O2
- Average molar mass
- 214.24 g/mol
Names & identifiers
- Preferred name
- N-t-BOC-trans-4-Fluoro-L-Prolinonitrile
- IUPAC
- tert-butyl 2-cyano-4-fluoropyrrolidine-1-carboxylate
Names & synonyms
N-t-BOC-trans-4-Fluoro-L-ProlinonitrileRefChem:831112813-734-9tert-butyl 2-cyano-4-fluoropyrrolidine-1-carboxylate1547085-19-7MFCD28898277C10H15FN2O2SCHEMBL33981601-Pyrrolidinecarboxylic acid, 2-cyano-4-fluoro-, 1,1-dimethylethyl ester, (2R,4S)-2967477-05-8SB45235SB47129
Show more names
N-t-BOC-cis-4-Fluoro-L-ProlinonitrileSY283945EN300-1726033tert-butyl 2-cyano-4-fluoro-pyrrolidine-1-carboxylate
Database identifiers
- CAS
1330286-47-9- PubChem CID
- 17856495
- EC Number
- 813-734-9
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 302
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, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, 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%)
Chemistry & industry
Suppliers19 total
南京优氟医药科技有限公司025-86755008 17751752005 · [email protected]
南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
上海铱鑫医药科技有限公司13671725141 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海指月生物科技有限公司13918644899 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
上海特伯化学科技有限公司021-58170097 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
HaBo Hong Kong Co., Limited.+86-25-18512596065 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
Shanghai Joy Biotech Ltd.+86-15968534750 +86-1358845959750 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
3 records
Compound notes
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