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85091-15-2 | 1-Heptanol, 3-(methylamino)-
CAS No: 85091-15-2 Catalog No: AG004XNI MDL No:
Product Description
Catalog Number:
AG004XNI
Chemical Name:
1-Heptanol, 3-(methylamino)-
CAS Number:
85091-15-2
Molecular Formula:
C8H19NO
Molecular Weight:
145.2426
IUPAC Name:
3-(methylamino)heptan-1-ol
InChI:
InChI=1S/C8H19NO/c1-3-4-5-8(9-2)6-7-10/h8-10H,3-7H2,1-2H3
InChI Key:
NVNYTIOFBAMXPS-UHFFFAOYSA-N
SMILES:
CCCCC(CCO)NC
Properties
Complexity:
66.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.147g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
145.246g/mol
Monoisotopic Mass:
145.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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