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146845-08-1 | 1-Pentanamine, 2,4-dimethyl-
CAS No: 146845-08-1 Catalog No: AG001EDR MDL No:MFCD11641501
Product Description
Catalog Number:
AG001EDR
Chemical Name:
1-Pentanamine, 2,4-dimethyl-
CAS Number:
146845-08-1
Molecular Formula:
C7H17N
Molecular Weight:
115.2166
MDL Number:
MFCD11641501
IUPAC Name:
2,4-dimethylpentan-1-amine
InChI:
InChI=1S/C7H17N/c1-6(2)4-7(3)5-8/h6-7H,4-5,8H2,1-3H3
InChI Key:
VSCUUONOAFHEOJ-UHFFFAOYSA-N
SMILES:
NCC(CC(C)C)C
Properties
Complexity:
50.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.136g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
115.22g/mol
Monoisotopic Mass:
115.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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