1,3-Propanediol, 2-amino-2-(hydroxymethyl)-, acetate (salt)


Chemical Name: 1,3-Propanediol, 2-amino-2-(hydroxymethyl)-, acetate (salt)
CAS Number: 6850-28-8
Product Number: AG00IBUC(AGN-PC-0TSS18)
Synonyms:
MDL No:
Molecular Formula: C6H15NO5
Molecular Weight: 181.1870

Identification/Properties


Computed Properties
Molecular Weight:
181.188g/mol
Hydrogen Bond Donor Count:
5
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
181.095g/mol
Monoisotopic Mass:
181.095g/mol
Topological Polar Surface Area:
124A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
85.1
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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