| CAS Number | 864814-30-2 |
| Catalog Number | AG00IE3G(AGN-PC-0WAIX6) |
| Chemical Name | (3-Methyltetrahydrofuran-3-yl)methanamine |
| IUPAC Name | (3-methyloxolan-3-yl)methanamine |
| InChI | InChI=1S/C6H13NO/c1-6(4-7)2-3-8-5-6/h2-5,7H2,1H3 |
| InChI Key | BIHDPCZORCLZAJ-UHFFFAOYSA-N |
| MDL Number | MFCD16856414 |
| Molecular Formula | C6H13NO |
| Molecular Weight | 115.1735 |
| SMILES | CC1(COCC1)CN |
| Synonyms | (3-methyloxolan-3-yl)methanamine,
864814-30-2,
(3-Methyltetrahydrofuran-3-yl)methanamine,
3-Aminomethyl-3-methyltetrahydrofuran,
SCHEMBL4898572,
BIHDPCZORCLZAJ-UHFFFAOYSA-N,
KS-000007KT,
MFCD16856414,
3-Methyltetrahydrofuran-3-methanamine,
AKOS012016473,
3-methyltetrahydrofuran-3-ylmethylamine,
MCULE-4260151246,
PB30140,
(3-methyltetrahydrofuran-3-yl)methylamine,
BS-12935,
CS-0053357,
EN300-76418,
Q-4528,
Z1267882058,
|
| Complexity | 84.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 115.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 115.176g/mol |
| Monoisotopic Mass | 115.1g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
Certificate of Analysis
Lot Number