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83686-55-9 | 1,4-Pentanediamine, 4-methyl-
CAS No: 83686-55-9 Catalog No: AG0056GH MDL No:MFCD19624847
Product Description
Catalog Number:
AG0056GH
Chemical Name:
1,4-Pentanediamine, 4-methyl-
CAS Number:
83686-55-9
Molecular Formula:
C6H16N2
Molecular Weight:
116.2046
MDL Number:
MFCD19624847
IUPAC Name:
4-methylpentane-1,4-diamine
InChI:
InChI=1S/C6H16N2/c1-6(2,8)4-3-5-7/h3-5,7-8H2,1-2H3
InChI Key:
WHLFXPIYRPOHGB-UHFFFAOYSA-N
SMILES:
NCCCC(N)(C)C
Properties
Complexity:
59.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.131g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
116.208g/mol
Monoisotopic Mass:
116.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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