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14788-12-6 | β-Alanine, N,N-dimethyl-, hydrochloride (1:1)
CAS No: 14788-12-6 Catalog No: AG001F9I MDL No:MFCD02093464
Product Description
Catalog Number:
AG001F9I
Chemical Name:
β-Alanine, N,N-dimethyl-, hydrochloride (1:1)
CAS Number:
14788-12-6
Molecular Formula:
C5H12ClNO2
Molecular Weight:
153.6073
MDL Number:
MFCD02093464
IUPAC Name:
3-(dimethylamino)propanoic acid;hydrochloride
InChI:
InChI=1S/C5H11NO2.ClH/c1-6(2)4-3-5(7)8;/h3-4H2,1-2H3,(H,7,8);1H
InChI Key:
JTNKXYWGZCNBCH-UHFFFAOYSA-N
SMILES:
CN(CCC(=O)O)C.Cl
Properties
Complexity:
80.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.056g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
153.606g/mol
Monoisotopic Mass:
153.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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