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76888-68-1 | 3-(Ethylamino);butan-1-ol
CAS No: 76888-68-1 Catalog No: AG005G4Y MDL No:MFCD09864523
Product Description
Catalog Number:
AG005G4Y
Chemical Name:
3-(Ethylamino);butan-1-ol
CAS Number:
76888-68-1
Molecular Formula:
C6H15NO
Molecular Weight:
117.1894
MDL Number:
MFCD09864523
IUPAC Name:
3-(ethylamino)butan-1-ol
InChI:
InChI=1S/C6H15NO/c1-3-7-6(2)4-5-8/h6-8H,3-5H2,1-2H3
InChI Key:
AXCSUIBUZBQBGT-UHFFFAOYSA-N
SMILES:
OCCC(NCC)C
Properties
Complexity:
47.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.115g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
117.192g/mol
Monoisotopic Mass:
117.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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