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78879-70-6 | 1,3-Butanediol,4-(dimethylamino)-
CAS No: 78879-70-6 Catalog No: AG005D7S MDL No:
Product Description
Catalog Number:
AG005D7S
Chemical Name:
1,3-Butanediol,4-(dimethylamino)-
CAS Number:
78879-70-6
Molecular Formula:
C6H15NO2
Molecular Weight:
133.1888
IUPAC Name:
4-(dimethylamino)butane-1,3-diol
InChI:
InChI=1S/C6H15NO2/c1-7(2)5-6(9)3-4-8/h6,8-9H,3-5H2,1-2H3
InChI Key:
VGFVWMRUCOXJCN-UHFFFAOYSA-N
SMILES:
OCCC(CN(C)C)O
NSC Number:
45481
Properties
Complexity:
66.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.11g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
133.191g/mol
Monoisotopic Mass:
133.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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