| CAS Number | 858796-69-7 |
| Catalog Number | AG00J406 |
| Chemical Name | N-(2-furylmethyl)-1-butanamine hydrochloride |
| IUPAC Name | N-(furan-2-ylmethyl)butan-1-amine;hydrochloride |
| InChI | InChI=1S/C9H15NO.ClH/c1-2-3-6-10-8-9-5-4-7-11-9;/h4-5,7,10H,2-3,6,8H2,1H3;1H |
| InChI Key | RRSJAFKMAUEYQC-UHFFFAOYSA-N |
| MDL Number | MFCD01725770 |
| Molecular Formula | C9H16ClNO |
| Molecular Weight | 189.6824 |
| SMILES | C1(CNCCCC)=CC=CO1.Cl |
| Synonyms | N-(2-Furylmethyl)-1-butanamine hydrochloride,
858796-69-7,
ZX-CM018010,
MFCD01725770,
MCULE-4094411907,
LS-70628,
|
| Complexity | 95.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.683g/mol |
| Monoisotopic Mass | 189.092g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 25.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number