| CAS Number | 1956306-39-0 |
| Catalog Number | AG01EDNA(AGN-PC-0WD3L1) |
| Chemical Name | N1,N1,3-trimethylbutane-1,3-diamine dihydrochloride |
| IUPAC Name | 1-N,1-N,3-trimethylbutane-1,3-diamine;dihydrochloride |
| InChI | InChI=1S/C7H18N2.2ClH/c1-7(2,8)5-6-9(3)4;;/h5-6,8H2,1-4H3;2*1H |
| InChI Key | NPCYGUSDBOYQEX-UHFFFAOYSA-N |
| MDL Number | MFCD27920705 |
| Molecular Formula | C7H20Cl2N2 |
| Molecular Weight | 203.1531 |
| SMILES | CC(N)(C)CCN(C)C.[H]Cl.[H]Cl |
| Synonyms | N1,N1,3-Trimethylbutane-1,3-diamine dihydrochloride,
1956306-39-0,
SCHEMBL18339962,
AKOS022186008,
AX8270284,
|
| Complexity | 77 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.151g/mol |
| Monoisotopic Mass | 202.1g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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