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127755-08-2 | Benzenemethanamine, phosphate (1:1)
CAS No: 127755-08-2 Catalog No: AG000XDL MDL No:
Product Description
Catalog Number:
AG000XDL
Chemical Name:
Benzenemethanamine, phosphate (1:1)
CAS Number:
127755-08-2
Molecular Formula:
C7H12NO4P
Molecular Weight:
205.1482
IUPAC Name:
phenylmethanamine;phosphoric acid
InChI:
InChI=1S/C7H9N.H3O4P/c8-6-7-4-2-1-3-5-7;1-5(2,3)4/h1-5H,6,8H2;(H3,1,2,3,4)
InChI Key:
OGEDOBZILFEBDN-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.NCc1ccccc1
NSC Number:
150120
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.05g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
205.15g/mol
Monoisotopic Mass:
205.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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