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79014-65-6

79014-65-6 | (2-Aminobutan-2-yl)phosphonic acid hydrate

CAS No: 79014-65-6 Catalog No: AG005CDH MDL No:

Product Description

Catalog Number:
AG005CDH
Chemical Name:
(2-Aminobutan-2-yl)phosphonic acid hydrate
CAS Number:
79014-65-6
Molecular Formula:
C4H14NO4P
Molecular Weight:
171.1320
IUPAC Name:
2-aminobutan-2-ylphosphonic acid;hydrate
InChI:
InChI=1S/C4H12NO3P.H2O/c1-3-4(2,5)9(6,7)8;/h3,5H2,1-2H3,(H2,6,7,8);1H2
InChI Key:
XOFGFZIYHLOEQZ-UHFFFAOYSA-N
SMILES:
CCC(P(=O)(O)O)(N)C.O

Properties

Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.066g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
171.133g/mol
Monoisotopic Mass:
171.066g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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