Basic information
- CAS
63794-75-2- Standard SMILES
CCC(C(=O)O)n1cccc1- InChIKey
BAAAPDYRIGZLBL-UHFFFAOYSA-N- Molecular formula
- C8H11NO2
- Average molar mass
- 153.18 g/mol
- Monoisotopic mass
- 153.07897859
Names & identifiers
- Preferred name
- 2-(1H-Pyrrol-1-YL)butanoic acid
- IUPAC
- 2-pyrrol-1-ylbutanoic acid
- English name
- 2-(1H-Pyrrol-1-yl)butanoic acid
- Molecular formula
- C8H11NO2
- Molecular weight
- 153.18
Names & synonyms
2-(1H-PYRROL-1-YL)BUTANOIC ACID63794-75-22-pyrrol-1-ylbutanoic acid2-(1H-Pyrrol-1-yl)butanoicacidMFCD09971286SCHEMBL3876229AKOS009507301SB62098DB-3290752-(1H-Pyrrol-1-yl)butanoic acid, AldrichCPRG67903F310845
Show more names
1H-Pyrrole-1-acetic acid, α-ethyl-1H-Pyrrole-1-acetic acid, alpha-ethyl-2-(1H-pyrrol-1-yl)butanoic acid(SALTDATA: FREE)
Database identifiers
- CAS
63794-75-2- PubChem CID
- 19933232
- DTXSID
DTXSID30601387- Nikkaji
- J1.329.756H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- form
- solid
- InChI
- 1S/C8H11NO2/c1-2-7(8(10)11)9-5-3-4-6-9/h3-7H,2H2,1H3,(H,10,11)
- InChIKey
- BAAAPDYRIGZLBL-UHFFFAOYSA-N
- SMILES
- CCC(C(O)=O)n1cccc1
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers10 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
安庆融创生物科技有限公司15001988657 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海进取者生物医药科技有限公司19121164345; 1 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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