| CAS Number | 127180-89-6 |
| Catalog Number | AG01AKXM(AGN-PC-05C9W6) |
| Chemical Name | 1-Methoxy-3-methylbutan-2-amine |
| IUPAC Name | 1-methoxy-3-methylbutan-2-amine |
| InChI | InChI=1S/C6H15NO/c1-5(2)6(7)4-8-3/h5-6H,4,7H2,1-3H3 |
| InChI Key | PVNWTJLUPPXWDT-UHFFFAOYSA-N |
| MDL Number | MFCD06248008 |
| Molecular Formula | C6H15NO |
| Molecular Weight | 117.1894 |
| SMILES | COCC(C(C)C)N |
| Synonyms | 1-methoxy-3-methylbutan-2-amine,
127180-89-6,
1-Methoxymethyl-2-methyl-propylamine,
SCHEMBL10057895,
SCHEMBL13088426,
1-methoxy-3-methyl-2-butanamine,
9904AH,
AKOS010815368,
MCULE-4185259512,
NE48569,
BB 0253901,
EN300-85575,
Z1258948102,
C6H15NO,
(S)-1-Methoxy-3-methylbutan-2-amine,
(R)-1-Methoxymethyl-2-methyl-propylamine,
1-Methoxy-3-methyl-2-butanamine hydrochloride,
64715-88-4,
167254-69-5,
|
| Complexity | 54.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 117.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 117.192g/mol |
| Monoisotopic Mass | 117.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number