Basic information
- CAS
799264-87-2- Standard SMILES
CC(C)(C)c1cc(CN)c(C(=O)O)o1- InChIKey
KUFIAZNIYKWTCJ-UHFFFAOYSA-N- Molecular formula
- C10H15NO3
- Average molar mass
- 197.23 g/mol
- Monoisotopic mass
- 197.10519334
Names & identifiers
- Preferred name
- 3-(Aminomethyl)-5-tert-butylfuran-2-carboxylic acid
- IUPAC
- 3-(aminomethyl)-5-tert-butylfuran-2-carboxylic acid
- English name
- 3-Aminomethyl-5-tert-butyl-furan-2-carboxylic acid
- Molecular formula
- C10H15NO3
- Molecular weight
- 197.23
Names & synonyms
799264-87-23-(aminomethyl)-5-tert-butylfuran-2-carboxylic acidRefChem:494094888-506-53-(aminomethyl)-5-(tert-butyl)furan-2-carboxylic acid3-Aminomethyl-5-tert-butyl-furan-2-carboxylic acidHMS1687K19ZGB26487STK683755AKOS000303441SB61407SDCCGMLS-0065276.P001
Show more names
ST4104870CS-0331035EN300-259980123-(aminomethyl)-5-(tert-butyl)furan-2-carboxylicacid3-(aminomethyl)-5-tert-butyl-furan-2-carboxylic acid3-(aminomethyl)-5-tert-butylfuran-2-carboxylic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
799264-87-2- PubChem CID
- 976763
- EC Number
- 888-506-5
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 222
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers5 total
TYGER[email protected]
ASINEX-REAG[email protected]
先进技术工业有限公司[email protected]
FULCRUM—
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…