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858834-71-6 | 3-(BENZYLAMINO)-2-METHYL-1-PROPANOL
CAS No: 858834-71-6 Catalog No: AG004R3U MDL No:MFCD08691880
Product Description
Catalog Number:
AG004R3U
Chemical Name:
3-(BENZYLAMINO)-2-METHYL-1-PROPANOL
CAS Number:
858834-71-6
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
MDL Number:
MFCD08691880
IUPAC Name:
3-(benzylamino)-2-methylpropan-1-ol
InChI:
InChI=1S/C11H17NO/c1-10(9-13)7-12-8-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3
InChI Key:
HJARAYMXDYVLBL-UHFFFAOYSA-N
SMILES:
OCC(CNCc1ccccc1)C
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.263g/mol
Monoisotopic Mass:
179.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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