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Alanine-nh2 acetate salt

CAS No.:
119864-22-1
Catalog Number:
AG000PSX
Molecular Formula:
C5H12N2O3
Molecular Weight:
148.1604
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Product Description
Catalog Number:
AG000PSX
Chemical Name:
Alanine-nh2 acetate salt
CAS Number:
119864-22-1
Molecular Formula:
C5H12N2O3
Molecular Weight:
148.1604
MDL Number:
MFCD00237738
IUPAC Name:
acetic acid;(2S)-2-aminopropanamide
InChI:
InChI=1S/C3H8N2O.C2H4O2/c1-2(4)3(5)6;1-2(3)4/h2H,4H2,1H3,(H2,5,6);1H3,(H,3,4)/t2-;/m0./s1
InChI Key:
HIFLYZJMEVTVFL-DKWTVANSSA-N
SMILES:
NC(=O)[C@@H](N)C.CC(=O)O
Properties
Complexity:
92.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
148.085g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
148.162g/mol
Monoisotopic Mass:
148.085g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties