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114451-00-2 | Phenol, 2-[[(2-hydroxyethyl)amino]methyl]-4-methyl-
CAS No: 114451-00-2 Catalog No: AG000EEE MDL No:MFCD18331258
Product Description
Catalog Number:
AG000EEE
Chemical Name:
Phenol, 2-[[(2-hydroxyethyl)amino]methyl]-4-methyl-
CAS Number:
114451-00-2
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
MDL Number:
MFCD18331258
IUPAC Name:
2-[(2-hydroxyethylamino)methyl]-4-methylphenol
InChI:
InChI=1S/C10H15NO2/c1-8-2-3-10(13)9(6-8)7-11-4-5-12/h2-3,6,11-13H,4-5,7H2,1H3
InChI Key:
LHWPNSOMTWWUIS-UHFFFAOYSA-N
SMILES:
Cc1cc(CNCCO)c(cc1)O
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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