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333-93-7 | 1,4-Diaminobutane Dihydrochloride
CAS No: 333-93-7 Catalog No: AG0032MJ MDL No:MFCD00012526
Product Description
Catalog Number:
AG0032MJ
Chemical Name:
1,4-Diaminobutane Dihydrochloride
CAS Number:
333-93-7
Molecular Formula:
C4H14Cl2N2
Molecular Weight:
161.0734
MDL Number:
MFCD00012526
IUPAC Name:
butane-1,4-diamine;dihydrochloride
InChI:
InChI=1S/C4H12N2.2ClH/c5-3-1-2-4-6;;/h1-6H2;2*1H
InChI Key:
XXWCODXIQWIHQN-UHFFFAOYSA-N
SMILES:
NCCCCN.Cl.Cl
EC Number:
206-375-9
UNII:
X45SUR7RHY
Properties
Complexity:
17.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.053g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
161.07g/mol
Monoisotopic Mass:
160.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Targeting the polyamine transport system with benzazepine- and azepine-polyamine conjugates. | Journal of medicinal chemistry 20101111 |
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