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89690-09-5 | N-Methylbutane-1,4-diamine, Dihydrochloride
CAS No: 89690-09-5 Catalog No: AG0042XA MDL No:
Product Description
Catalog Number:
AG0042XA
Chemical Name:
N-Methylbutane-1,4-diamine, Dihydrochloride
CAS Number:
89690-09-5
Molecular Formula:
C5H16Cl2N2
Molecular Weight:
175.0999
IUPAC Name:
4-azaniumylbutyl(methyl)azanium;dichloride
InChI:
InChI=1S/C5H14N2.2ClH/c1-7-5-3-2-4-6;;/h7H,2-6H2,1H3;2*1H
InChI Key:
XZQGIPYFXROFMB-UHFFFAOYSA-N
SMILES:
C[NH2+]CCCC[NH3+].[Cl-].[Cl-]
Properties
Complexity:
29.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.069g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
175.097g/mol
Monoisotopic Mass:
174.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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