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81074-81-9 | 5-(Dimethylaminomethyl)furfuryl alcohol hydrochloride, 96%
CAS No: 81074-81-9 Catalog No: AG003M7E MDL No:MFCD00040971
Product Description
Catalog Number:
AG003M7E
Chemical Name:
5-(Dimethylaminomethyl)furfuryl alcohol hydrochloride, 96%
CAS Number:
81074-81-9
Molecular Formula:
C8H14ClNO2
Molecular Weight:
191.6553
MDL Number:
MFCD00040971
IUPAC Name:
[5-[(dimethylamino)methyl]furan-2-yl]methanol;hydrochloride
InChI:
InChI=1S/C8H13NO2.ClH/c1-9(2)5-7-3-4-8(6-10)11-7;/h3-4,10H,5-6H2,1-2H3;1H
InChI Key:
UDLQUVLALYCAMJ-UHFFFAOYSA-N
SMILES:
OCc1ccc(o1)CN(C)C.Cl
EC Number:
279-686-0
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.071g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.655g/mol
Monoisotopic Mass:
191.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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