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693245-62-4 | (3S,4S);-3-Methyltetrahydro-2H-pyran-4-amine
CAS No: 693245-62-4 Catalog No: AG006GEM MDL No:MFCD22417052
Product Description
Catalog Number:
AG006GEM
Chemical Name:
(3S,4S);-3-Methyltetrahydro-2H-pyran-4-amine
CAS Number:
693245-62-4
Molecular Formula:
C6H13NO
Molecular Weight:
115.1735
MDL Number:
MFCD22417052
IUPAC Name:
(3S,4S)-3-methyloxan-4-amine
InChI:
InChI=1S/C6H13NO/c1-5-4-8-3-2-6(5)7/h5-6H,2-4,7H2,1H3/t5-,6+/m1/s1
InChI Key:
WFVKNHIDEGYGPD-RITPCOANSA-N
SMILES:
C[C@@H]1COCC[C@@H]1N
Properties
Complexity:
74.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
115.1g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
115.176g/mol
Monoisotopic Mass:
115.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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