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136370-46-2 | 1,2-Propanediamine, (S)-, sulfate (1:1) (9CI)
CAS No: 136370-46-2 Catalog No: AG0011TK MDL No:
Product Description
Catalog Number:
AG0011TK
Chemical Name:
1,2-Propanediamine, (S)-, sulfate (1:1) (9CI)
CAS Number:
136370-46-2
Molecular Formula:
C3H12N2O4S
Molecular Weight:
172.2034
IUPAC Name:
(2S)-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-;/m0./s1
InChI Key:
VFDQRKYOFLFZPW-DFWYDOINSA-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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