Home Aminos 1,3-Propanediol, 2-(methylamino)-

1,3-Propanediol, 2-(methylamino)-

CAS No.:
77697-86-0
Catalog Number:
AG0058LR
Molecular Formula:
C4H11NO2
Molecular Weight:
105.1356
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Product Description
Catalog Number:
AG0058LR
Chemical Name:
1,3-Propanediol, 2-(methylamino)-
CAS Number:
77697-86-0
Molecular Formula:
C4H11NO2
Molecular Weight:
105.1356
MDL Number:
MFCD19217497
IUPAC Name:
2-(methylamino)propane-1,3-diol
InChI:
InChI=1S/C4H11NO2/c1-5-4(2-6)3-7/h4-7H,2-3H2,1H3
InChI Key:
YMFOWIJFFPALOW-UHFFFAOYSA-N
SMILES:
OCC(CO)NC
Properties
Complexity:
36.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
105.079g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
105.137g/mol
Monoisotopic Mass:
105.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5  
Properties