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19253-88-4 | 1-Pentanaminium, 5-amino-5-carboxy-N,N,N-trimethyl-, (5S)-
CAS No: 19253-88-4 Catalog No: AG002G35 MDL No:
Product Description
Catalog Number:
AG002G35
Chemical Name:
1-Pentanaminium, 5-amino-5-carboxy-N,N,N-trimethyl-, (5S)-
CAS Number:
19253-88-4
Molecular Formula:
C9H21N2O2+
Molecular Weight:
189.2752
IUPAC Name:
[(5S)-5-amino-5-carboxypentyl]-trimethylazanium
InChI:
InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1
InChI Key:
MXNRLFUSFKVQSK-QMMMGPOBSA-O
SMILES:
OC(=O)[C@H](CCCC[N+](C)(C)C)N
UNII:
3YGF0495O2
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
189.16g/mol
Formal Charge:
1
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.279g/mol
Monoisotopic Mass:
189.16g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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