Home Other Building Blocks 1-AMINO-3-BENZYLOXY-PROPAN-2-OL

1-AMINO-3-BENZYLOXY-PROPAN-2-OL

CAS No.:
90503-15-4
Catalog Number:
AG003IYR
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
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Product Description
Catalog Number:
AG003IYR
Chemical Name:
1-AMINO-3-BENZYLOXY-PROPAN-2-OL
CAS Number:
90503-15-4
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
MDL Number:
MFCD00183222
IUPAC Name:
1-amino-3-phenylmethoxypropan-2-ol
InChI:
InChI=1S/C10H15NO2/c11-6-10(12)8-13-7-9-4-2-1-3-5-9/h1-5,10,12H,6-8,11H2
InChI Key:
ZGHLNQMMKJNJIH-UHFFFAOYSA-N
SMILES:
NCC(COCc1ccccc1)O
NSC Number:
380677
Properties
Complexity:
124  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties