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2893-65-4 | 1-Butanol, 3-(dimethylamino)-
CAS No: 2893-65-4 Catalog No: AG002X4L MDL No:MFCD09971253
Product Description
Catalog Number:
AG002X4L
Chemical Name:
1-Butanol, 3-(dimethylamino)-
CAS Number:
2893-65-4
Molecular Formula:
C6H15NO
Molecular Weight:
117.1894
MDL Number:
MFCD09971253
IUPAC Name:
3-(dimethylamino)butan-1-ol
InChI:
InChI=1S/C6H15NO/c1-6(4-5-8)7(2)3/h6,8H,4-5H2,1-3H3
InChI Key:
QTTKJYGPXLCJNF-UHFFFAOYSA-N
SMILES:
OCCC(N(C)C)C
NSC Number:
26885
Properties
Complexity:
54.5
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:
1
Isotope Atom Count:
0
Molecular Weight:
117.192g/mol
Monoisotopic Mass:
117.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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