| CAS Number | 189340-78-1 |
| Catalog Number | AG002IBZ(AGN-PC-0QITDH) |
| Chemical Name | N-(4-Aminobutyl)-1,4-butanediamine3hcl |
| IUPAC Name | N'-(4-aminobutyl)butane-1,4-diamine;trihydrochloride |
| InChI | InChI=1S/C8H21N3.3ClH/c9-5-1-3-7-11-8-4-2-6-10;;;/h11H,1-10H2;3*1H |
| InChI Key | ASPPINREBNQPGP-UHFFFAOYSA-N |
| MDL Number | MFCD30741522 |
| Molecular Formula | C8H24Cl3N3 |
| Molecular Weight | 268.6553 |
| SMILES | Cl.Cl.Cl.NCCCCNCCCCN |
| Synonyms | 189340-78-1,
n-(4-aminobutyl)-1,4-butanediamine3hcl,
N-(4-Aminobutyl)-1,4-butanediamine 3HCl,
N-(4-Aminobutyl)-1,4-butanediamine Trihydrochloride,
MFCD30741522,
AKOS030228330,
KS-000001L4,
AS-44367,
FT-0669236,
J-012217,
1,4-Butanediamine, N1-(4-aminobutyl)-, hydrochloride (1:3),
sym-Homo Spermidine Trihydrochloride,
ASPPINREBNQPGP-UHFFFAOYSA-N,
sym-Homospermidine Trihydrochloride,
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| Complexity | 58.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.651g/mol |
| Monoisotopic Mass | 267.104g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 64.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number