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10017-44-4 | 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride (1:1), (2S)-
CAS No: 10017-44-4 Catalog No: AG00015N MDL No:MFCD00064131
Product Description
Catalog Number:
AG00015N
Chemical Name:
1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride (1:1), (2S)-
CAS Number:
10017-44-4
Molecular Formula:
C7H16ClNO3
Molecular Weight:
197.6598
MDL Number:
MFCD00064131
IUPAC Name:
[(2S)-3-carboxy-2-hydroxypropyl]-trimethylazanium;chloride
InChI:
InChI=1S/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/t6-;/m0./s1
InChI Key:
JXXCENBLGFBQJM-RGMNGODLSA-N
SMILES:
O[C@H](C[N+](C)(C)C)CC(=O)O.[Cl-]
UNII:
11X758JML9
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
197.082g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.659g/mol
Monoisotopic Mass:
197.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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