Basic information
- CAS
88230-53-9- Standard SMILES
CCCCNCc1ccco1- InChIKey
FTACOWCYJXGWAM-UHFFFAOYSA-N- Molecular formula
- C9H15NO
- Average molar mass
- 153.22 g/mol
- Monoisotopic mass
- 153.1153641
Names & identifiers
- Preferred name
- N-(furan-2-ylmethyl)butan-1-amine
- IUPAC
- N-(furan-2-ylmethyl)butan-1-amine
- English name
- CHEMBRDG-BB 9070914
- Molecular formula
- C9H15NO
- Molecular weight
- 153.22
Names & synonyms
88230-53-9N-(furan-2-ylmethyl)butan-1-aminebutyl[(furan-2-yl)methyl]amineN-(2-Furylmethyl)butan-1-amineN-(2-furylmethyl)-1-butanaminebutyl(2-furylmethyl)amineMFCD01924418NSC97531N-Butyl-N-furfurylamineSCHEMBL6625017FTACOWCYJXGWAM-UHFFFAOYSA-NDTXSID601008023
Show more names
AKOS ISYA01099AKOS LT-1103X0219CHEMBRDG-BB 9070914UKRORGSYN-BB BBV-035696butyl-(2-furylmethyl)amine2-Furanmethanamine, N-butyl-butyl[(furan-2-yl)methyl]amine hydrochloride
ALBB-021113BBL000280n--butyl-n-(furan-2-ylmethyl)amineNSC-97531STK511396AKOS000150596N-[(Furan-2-yl)methyl]butan-1-amineNCGC00340526-01
Database identifiers
- CAS
88230-53-9- PubChem CID
- 263174
- DTXSID
DTXSID601008023- Nikkaji
- J2.786.150D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 25.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 95.6
Physicochemical properties
- Melting point
- 198 · 198-200 °C
- Boiling point
- 200.7 · 200.7±15.0 °C(Predicted)
- Density
- 0.937 · 0.937±0.06 g/cm3(Predicted)
- pka
- 9.06 · 9.06±0.19(Predicted)
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
3 records
Compound notes
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