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115947-67-6 | 2,3-Pentanediamine
CAS No: 115947-67-6 Catalog No: AG000H5X MDL No:MFCD19206189
Product Description
Catalog Number:
AG000H5X
Chemical Name:
2,3-Pentanediamine
CAS Number:
115947-67-6
Molecular Formula:
C5H14N2
Molecular Weight:
102.1781
MDL Number:
MFCD19206189
IUPAC Name:
pentane-2,3-diamine
InChI:
InChI=1S/C5H14N2/c1-3-5(7)4(2)6/h4-5H,3,6-7H2,1-2H3
InChI Key:
ZNUSBSVDROQNFN-UHFFFAOYSA-N
SMILES:
CCC(C(N)C)N
Properties
Complexity:
45.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
102.116g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
102.181g/mol
Monoisotopic Mass:
102.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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