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827039-71-4 | 1,3-Propanediol, 2-amino-2-(phenylmethyl)-, hydrochloride
CAS No: 827039-71-4 Catalog No: AG0050V4 MDL No:
Product Description
Catalog Number:
AG0050V4
Chemical Name:
1,3-Propanediol, 2-amino-2-(phenylmethyl)-, hydrochloride
CAS Number:
827039-71-4
Molecular Formula:
C10H16ClNO2
Molecular Weight:
217.6925
IUPAC Name:
2-amino-2-benzylpropane-1,3-diol;hydrochloride
InChI:
InChI=1S/C10H15NO2.ClH/c11-10(7-12,8-13)6-9-4-2-1-3-5-9;/h1-5,12-13H,6-8,11H2;1H
InChI Key:
NGEXGLRBMGDABR-UHFFFAOYSA-N
SMILES:
OCC(Cc1ccccc1)(CO)N.Cl
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.087g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
217.693g/mol
Monoisotopic Mass:
217.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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