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15674-67-6 | β-Alanine, N,N-diethyl-, hydrochloride (1:1)
CAS No: 15674-67-6 Catalog No: AG001OY5 MDL No:MFCD00012611
Product Description
Catalog Number:
AG001OY5
Chemical Name:
β-Alanine, N,N-diethyl-, hydrochloride (1:1)
CAS Number:
15674-67-6
Molecular Formula:
C7H16ClNO2
Molecular Weight:
181.6604
MDL Number:
MFCD00012611
IUPAC Name:
3-(diethylamino)propanoic acid;hydrochloride
InChI:
InChI=1S/C7H15NO2.ClH/c1-3-8(4-2)6-5-7(9)10;/h3-6H2,1-2H3,(H,9,10);1H
InChI Key:
QQVHFNAGPZTCBE-UHFFFAOYSA-N
SMILES:
CCN(CCC(=O)O)CC.Cl
EC Number:
239-751-6
Properties
Complexity:
99.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.087g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.66g/mol
Monoisotopic Mass:
181.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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