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113741-07-4 | 1-Pentanol, 2,5-diamino-
CAS No: 113741-07-4 Catalog No: AG0009IB MDL No:
Product Description
Catalog Number:
AG0009IB
Chemical Name:
1-Pentanol, 2,5-diamino-
CAS Number:
113741-07-4
Molecular Formula:
C5H14N2O
Molecular Weight:
118.1775
IUPAC Name:
2,5-diaminopentan-1-ol
InChI:
InChI=1S/C5H14N2O/c6-3-1-2-5(7)4-8/h5,8H,1-4,6-7H2
InChI Key:
UHHATRNUKJGRBN-UHFFFAOYSA-N
SMILES:
NCCCC(CO)N
Properties
Complexity:
49.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.111g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
118.18g/mol
Monoisotopic Mass:
118.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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