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1243259-19-9 | Pentanamide, 2-amino-3-methyl-N-[2-(4-morpholinyl)ethyl]-, hydrochloride (1:2), (2S,3S)-
CAS No: 1243259-19-9 Catalog No: AG000LU5 MDL No:MFCD28166485
Product Description
Catalog Number:
AG000LU5
Chemical Name:
Pentanamide, 2-amino-3-methyl-N-[2-(4-morpholinyl)ethyl]-, hydrochloride (1:2), (2S,3S)-
CAS Number:
1243259-19-9
Molecular Formula:
C12H27Cl2N3O2
Molecular Weight:
316.2677
MDL Number:
MFCD28166485
IUPAC Name:
(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;dihydrochloride
InChI:
InChI=1S/C12H25N3O2.2ClH/c1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15;;/h10-11H,3-9,13H2,1-2H3,(H,14,16);2*1H/t10-,11-;;/m0../s1
InChI Key:
LLIHJRRZJDEKLB-ULEGLUPFSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)NCCN1CCOCC1)N)C.Cl.Cl
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
315.148g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
316.267g/mol
Monoisotopic Mass:
315.148g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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