| CAS Number | 65500-37-0 |
| Catalog Number | AG01C3TW(AGN-PC-0069JM) |
| Chemical Name | (2-methylprop-1-en-1-yl)(2-methylpropyl)amine |
| IUPAC Name | 2-methyl-N-(2-methylprop-1-enyl)propan-1-amine |
| InChI | InChI=1S/C8H17N/c1-7(2)5-9-6-8(3)4/h5,8-9H,6H2,1-4H3 |
| InChI Key | UFNMLWJTTODWFG-UHFFFAOYSA-N |
| MDL Number | MFCD19219587 |
| Molecular Formula | C8H17N |
| Molecular Weight | 127.2273 |
| SMILES | CC(CN/C=C(C)/C)C |
| Synonyms | (2-methylprop-1-en-1-yl)(2-methylpropyl)amine,
65500-37-0,
AKOS006357188,
ZINC104621164,
N-Isobutyl-2-methyl-1-propene-1-amine,
CID11297975,
2-methyl-N-(2-methylpropyl)prop-1-en-1-amine,
|
| Complexity | 88.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.231g/mol |
| Monoisotopic Mass | 127.136g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number