Basic information
- CAS
18707-63-6- Standard SMILES
CCOC(=O)c1ccc(CN)o1- InChIKey
GSWZGDLAZFBBPB-UHFFFAOYSA-N- Molecular formula
- C8H11NO3
- Average molar mass
- 169.18 g/mol
- Monoisotopic mass
- 169.07389321
Names & identifiers
- Preferred name
- Ethyl 5-(aminomethyl)furan-2-carboxylate
- IUPAC
- ethyl 5-(aminomethyl)furan-2-carboxylate
- English name
- 5-AMINOMETHYL-FURAN-2-CARBOXYLIC ACID ETHYL ESTER
- Molecular formula
- C8H11NO3
- Molecular weight
- 169.18
Names & synonyms
ethyl 5-(aminomethyl)furan-2-carboxylate18707-63-6Ethyl 5-(aminomethyl)-2-furoate5-Aminomethyl-furan-2-carboxylic acid ethyl ester2-furancarboxylic acid, 5-(aminomethyl)-, ethyl ester, hydrochlorideChemDiv2_002449Oprea1_555090SCHEMBL853606DTXSID30340587HMS1375P07ALBB-023567Ethyl 5-(aminomethyl)-2-furoate #
Show more names
MFCD02815367CBI-BB ZERO/001776CHEMBRDG-BB 4141272TIMTEC-BB SBB001502ASDI-INTER 500019275ASINEX-REAG BAS 16289315ethyl 5-(aminomethyl)-2-furoate hydrochlorideethyl 5-(aminomethyl)-2-furoate(SALTDATA: HCl)
MFCD02906319SBB001502STK664071AKOS000301840ethyl 5-aminomethyl-2-furancarboxylateSB61669ethyl5-(aminomethyl)furan-2-carboxylateST044315
Database identifiers
- CAS
18707-63-6- PubChem CID
- 565895
- DTXSID
DTXSID30340587
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Boiling point
- 278.5 · 278.5±30.0 °C(Predicted)
- Density
- 1.153 · 1.153±0.06 g/cm3(Predicted)
- pka
- 7.62 · 7.62±0.29(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
苏州岚云医药科技有限公司2332782371 · [email protected]
成都塞欧斯医药科技有限公司028-64971018 18108168130
北京蓝博中兴科技有限公司010-56330744 15210344275 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
5 records
Compound notes
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