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Home Aminos 1-amino-3-(2H-1,3-benzodioxol-5-yloxy)propan-2-ol

1-amino-3-(2H-1,3-benzodioxol-5-yloxy)propan-2-ol

CAS No.:
258853-83-7
Catalog Number:
AG00I4XX
Molecular Formula:
C10H13NO4
Molecular Weight:
211.2145
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Product Description
Catalog Number:
AG00I4XX
Chemical Name:
1-amino-3-(2H-1,3-benzodioxol-5-yloxy)propan-2-ol
CAS Number:
258853-83-7
Molecular Formula:
C10H13NO4
Molecular Weight:
211.2145
MDL Number:
MFCD04215050
IUPAC Name:
1-amino-3-(1,3-benzodioxol-5-yloxy)propan-2-ol
InChI:
InChI=1S/C10H13NO4/c11-4-7(12)5-13-8-1-2-9-10(3-8)15-6-14-9/h1-3,7,12H,4-6,11H2
InChI Key:
MBLWJNKJEZAIHU-UHFFFAOYSA-N
SMILES:
NCC(COc1ccc2c(c1)OCO2)O
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.084g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
211.217g/mol
Monoisotopic Mass:
211.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties