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124613-28-1 | 1,3-Propanediol, 2-[(phenylmethyl)amino]-
CAS No: 124613-28-1 Catalog No: AG000MHJ MDL No:MFCD21187299
Product Description
Catalog Number:
AG000MHJ
Chemical Name:
1,3-Propanediol, 2-[(phenylmethyl)amino]-
CAS Number:
124613-28-1
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
MDL Number:
MFCD21187299
IUPAC Name:
2-(benzylamino)propane-1,3-diol
InChI:
InChI=1S/C10H15NO2/c12-7-10(8-13)11-6-9-4-2-1-3-5-9/h1-5,10-13H,6-8H2
InChI Key:
VTZUQTNKNVREQW-UHFFFAOYSA-N
SMILES:
OCC(NCc1ccccc1)CO
Properties
Complexity:
120
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:
5
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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