D-Alanine, 1,1-dimethylethyl ester, hydrochloride


Chemical Name: D-Alanine, 1,1-dimethylethyl ester, hydrochloride
CAS Number: 59531-86-1
Product Number: AG00370F(AGN-PC-0OCX1X)
Synonyms:
MDL No: MFCD00077087
Molecular Formula: C7H16ClNO2
Molecular Weight: 181.6604

Identification/Properties


Properties
MP:
170-175 °C
BP:
206.8 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Stability:
Hygroscopic
Refractive Index:
-1.4 ° (C=2, EtOH)
Computed Properties
Molecular Weight:
181.66g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
181.087g/mol
Monoisotopic Mass:
181.087g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
126
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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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