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1269437-72-0 | Benzenemethanamine, α,2,6-trimethyl-, hydrochloride (1:1), (αS)-
CAS No: 1269437-72-0 Catalog No: AG000WFB MDL No:MFCD12757572
Product Description
Catalog Number:
AG000WFB
Chemical Name:
Benzenemethanamine, α,2,6-trimethyl-, hydrochloride (1:1), (αS)-
CAS Number:
1269437-72-0
Molecular Formula:
C10H16ClN
Molecular Weight:
185.6937
MDL Number:
MFCD12757572
IUPAC Name:
(1S)-1-(2,6-dimethylphenyl)ethanamine;hydrochloride
InChI:
InChI=1S/C10H15N.ClH/c1-7-5-4-6-8(2)10(7)9(3)11;/h4-6,9H,11H2,1-3H3;1H/t9-;/m0./s1
InChI Key:
JQVDNTMMKLGBLJ-FVGYRXGTSA-N
SMILES:
C[C@@H](c1c(C)cccc1C)N.Cl
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
185.097g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.695g/mol
Monoisotopic Mass:
185.097g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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