| CAS Number | 129394-14-5 |
| Catalog Number | AG01BHDS(AGN-PC-002BYS) |
| Chemical Name | (2-Aminoethyl)(pentan-3-yl)amine |
| IUPAC Name | N'-pentan-3-ylethane-1,2-diamine |
| InChI | InChI=1S/C7H18N2/c1-3-7(4-2)9-6-5-8/h7,9H,3-6,8H2,1-2H3 |
| InChI Key | JWRIBBHPRWTITQ-UHFFFAOYSA-N |
| MDL Number | MFCD04360041 |
| Molecular Formula | C7H18N2 |
| Molecular Weight | 130.2312 |
| SMILES | CCC(NCCN)CC |
| Synonyms | (2-aminoethyl)(pentan-3-yl)amine,
129394-14-5,
SCHEMBL14248905,
ZINC22870532,
AKOS010109212,
Z1949076348,
|
| Complexity | 50.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 130.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 130.235g/mol |
| Monoisotopic Mass | 130.147g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number