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119793-66-7 | 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-(1-oxopropoxy)-, chloride (1:1), (2R)-
CAS No: 119793-66-7 Catalog No: AG000PN7 MDL No:MFCD00274137
Product Description
Catalog Number:
AG000PN7
Chemical Name:
1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-(1-oxopropoxy)-, chloride (1:1), (2R)-
CAS Number:
119793-66-7
Molecular Formula:
C10H20ClNO4
Molecular Weight:
253.7231
MDL Number:
MFCD00274137
IUPAC Name:
[(2R)-3-carboxy-2-propanoyloxypropyl]-trimethylazanium;chloride
InChI:
InChI=1S/C10H19NO4.ClH/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4;/h8H,5-7H2,1-4H3;1H/t8-;/m1./s1
InChI Key:
KTFMPDDJYRFWQE-DDWIOCJRSA-N
SMILES:
CCC(=O)O[C@@H](C[N+](C)(C)C)CC(=O)[O-].Cl
EC Number:
922-939-3
UNII:
12FW2YBF04
NSC Number:
759826
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
253.108g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.723g/mol
Monoisotopic Mass:
253.108g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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