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Basic information
- CAS
426844-23-7- Standard SMILES
Cl.NC(=O)[C@@H]1C[C@H](F)CN1- InChIKey
YIEACUBSPQGCLW-MMALYQPHSA-N- Molecular formula
- C5H10ClFN2O
- Average molar mass
- 168.6 g/mol
- Monoisotopic mass
- 168.0465688
Names & identifiers
- Preferred name
- 2-Pyrrolidinecarboxamide, 4-fluoro-, hydrochloride (1:1), (2S,4S)-
- IUPAC
- (2S,4S)-4-fluoropyrrolidine-2-carboxamide;hydrochloride
- English name
- 4-cis-Fluoro-L-prolinamide hydrochloride
- Molecular formula
- C5H10ClFN2O
- Molecular weight
- 168.6
Names & synonyms
RefChem:4834522-Pyrrolidinecarboxamide, 4-fluoro-, hydrochloride (1:1), (2S,4S)-426844-23-7(2S,4S)-4-Fluoropyrrolidine-2-carboxamide hydrochloride4-CIS-FLUORO-L-PROLINAMIDE HYDROCHLORIDEMFCD07368567cis-4-Fluoro-L-prolinamide hydrochlorideC5H10ClFN2O(2S,4S)-4-FLUOROPYRROLIDINE-2-CARBOXAMIDE HCL(2S,4S)-4-fluoropyrrolidine-2-carboxamide;hydrochloride(2S,4S)-4-Fluoropyrrolidine-2-carboxamidehydrochlorideAS-41464
Show more names
4-Cis-fluoro-l-prolinamide, HCl-4-Fluoropyrrolidine-2-carboxamide hydrochloride4-CIS-FLUORO-L-PROLINAMIDE HYDROCHLORIDE USP/EP/BP
(2s,4s)-2-carbamoyl-4-fluoropyrrolidine hydrochloride salt(2S,4S)-4-fluoropyrrolidine-2-carboxamide monohydrochlorideSCHEMBL1155011DTXSID10669804YIEACUBSPQGCLW-MMALYQPHSA-NAKOS015950324SY038509CS-0149995
Database identifiers
- CAS
426844-23-7- PubChem CID
- 45158917
- DTXSID
DTXSID10669804- EC Number
- 670-267-1
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Melting point
- 232 °C · 232°C
- storage temp.
- Inert atmosphere,Room Temperature
- form
- solid
- PH
- -45 · -45 (c=1 in water)
- Appearance
- White to off-white Solid
- optical activity
- 22 · [α]22/D 45.0°, c = 0.5 in methanol
- InChI
- 1S/C5H9FN2O.ClH/c6-3-1-4(5(7)9)8-2-3;/h3-4,8H,1-2H2,(H2,7,9);1H/t3-,4-;/m0./s1
- InChIKey
- YIEACUBSPQGCLW-MMALYQPHSA-N
- SMILES
- Cl.NC(=O)[C@@H]1C[C@H](F)CN1
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317-H319
- Precautionary statements
- 280 · P280-P301+P312+P330-P302+P352-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36-43
- Safety Statements
- 26 · 26-36/37
- WGK Germany
- 3 · 3
- HS Code
- 2933998090 · 2933998090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Sens. 1
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 (90.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (90.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (90.5%)；Skin Sens. 1 (90.5%)；Eye Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 2933998090
- risk_code
- 22-36-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H317-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Sens. 1
- Precautionary statements
- P280-P301+P312+P330-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers38 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
Syntechem Co.,Ltd[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海铱鑫医药科技有限公司13671725141 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海孟善化工有限公司21-58226973 18917146209 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
淄博航宇生物科技发展有限公司13053322091 13053322091 · [email protected]
南京普乐吉生物科技有限公司15261860116 · [email protected]
南通华祥医药科技有限公司+86-15716293042 15716293042 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
江苏阿贝力科技有限公司18901580598 · [email protected]
上海研易宝医药科技有限公司13661744693 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
Aladdin Scientific[email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
嘉兴瑞恒生物科技有限公司0573-0573-82672231 13757365595 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海齐奥化工科技有限公司021-58892003 · [email protected]
广州科檬生物科技有限公司400-168-9330 15013243073 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
20 records
Compound notes
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