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1217455-42-9 | Benzenemethanamine, α,4-diethyl-, (αS)-
CAS No: 1217455-42-9 Catalog No: AG0015P0 MDL No:
Product Description
Catalog Number:
AG0015P0
Chemical Name:
Benzenemethanamine, α,4-diethyl-, (αS)-
CAS Number:
1217455-42-9
Molecular Formula:
C11H17N
Molecular Weight:
163.2594
IUPAC Name:
(1S)-1-(4-ethylphenyl)propan-1-amine;hydrochloride
InChI:
InChI=1S/C11H17N.ClH/c1-3-9-5-7-10(8-6-9)11(12)4-2;/h5-8,11H,3-4,12H2,1-2H3;1H/t11-;/m0./s1
InChI Key:
OSNYCBVXSXZCKP-MERQFXBCSA-N
SMILES:
CCc1ccc(cc1)[C@H](CC)N
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
199.113g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.722g/mol
Monoisotopic Mass:
199.113g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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