| CAS Number | 99726-37-1 |
| Catalog Number | AG00J1QP(AGN-PC-0NKIOA) |
| Chemical Name | N-isopropyl-2-propen-1-amine hydrobromide |
| IUPAC Name | N-prop-2-enylpropan-2-amine;hydrobromide |
| InChI | InChI=1S/C6H13N.BrH/c1-4-5-7-6(2)3;/h4,6-7H,1,5H2,2-3H3;1H |
| InChI Key | ULLBZKJDSQYDAN-UHFFFAOYSA-N |
| MDL Number | MFCD09864509 |
| Molecular Formula | C6H14BrN |
| Molecular Weight | 180.0861 |
| SMILES | C(CNC(C)C)=C.Br |
| Synonyms | N-allyl-N-isopropylamine hydrobromide,
35000-22-7,
N-isopropyl-2-propen-1-amine hydrobromide,
99726-37-1,
CTK5J4872,
ZX-CM005796,
MFCD09864509,
AKOS015833563,
N-Isopropylprop-2-en-1-amine hydrobromide,
isopropyl(prop-2-en-1-yl)amine hydrobromide,
Y-9647,
N-Isopropyl-2-propen-1-amine hydrobromide, AldrichCPR,
4026873-25G,
|
| Complexity | 48.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.089g/mol |
| Monoisotopic Mass | 179.031g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number