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144118-44-5 | 1,2-Propanediamine, (R)-, sulfate (1:1) (9CI)
CAS No: 144118-44-5 Catalog No: AG001IYD MDL No:
Product Description
Catalog Number:
AG001IYD
Chemical Name:
1,2-Propanediamine, (R)-, sulfate (1:1) (9CI)
CAS Number:
144118-44-5
Molecular Formula:
C3H12N2O4S
Molecular Weight:
172.2034
IUPAC Name:
(2R)-propane-1,2-diamine;sulfuric acid
InChI:
InChI=1S/C3H10N2.H2O4S/c1-3(5)2-4;1-5(2,3)4/h3H,2,4-5H2,1H3;(H2,1,2,3,4)/t3-;/m1./s1
InChI Key:
VFDQRKYOFLFZPW-AENDTGMFSA-N
SMILES:
OS(=O)(=O)O.NC[C@H](N)C
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
172.052g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
172.199g/mol
Monoisotopic Mass:
172.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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