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125402-64-4 | Phosphinic acid, [1-amino-2-(1H-imidazol-4-yl)ethyl]- (9CI)
CAS No: 125402-64-4 Catalog No: AG000NN2 MDL No:
Product Description
Catalog Number:
AG000NN2
Chemical Name:
Phosphinic acid, [1-amino-2-(1H-imidazol-4-yl)ethyl]- (9CI)
CAS Number:
125402-64-4
Molecular Formula:
C5H10N3O2P
Molecular Weight:
175.1256
IUPAC Name:
[1-amino-2-(1H-imidazol-5-yl)ethyl]-hydroxy-oxophosphanium
InChI:
InChI=1S/C5H8N3O2P/c6-5(11(9)10)1-4-2-7-3-8-4/h2-3,5H,1,6H2,(H-,7,8,9,10)/p+1
InChI Key:
WRSHODQOENSARL-UHFFFAOYSA-O
SMILES:
NC(P(=O)O)Cc1c[nH]cn1
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.043g/mol
Formal Charge:
1
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
174.12g/mol
Monoisotopic Mass:
174.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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