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19146-52-2 | Benzenemethanamine, α-ethyl-, hydrochloride (1:1), (αS)-
CAS No: 19146-52-2 Catalog No: AG002F8W MDL No:MFCD12756859
Product Description
Catalog Number:
AG002F8W
Chemical Name:
Benzenemethanamine, α-ethyl-, hydrochloride (1:1), (αS)-
CAS Number:
19146-52-2
Molecular Formula:
C9H14ClN
Molecular Weight:
171.6672
MDL Number:
MFCD12756859
IUPAC Name:
(1S)-1-phenylpropan-1-amine;hydrochloride
InChI:
InChI=1S/C9H13N.ClH/c1-2-9(10)8-6-4-3-5-7-8;/h3-7,9H,2,10H2,1H3;1H/t9-;/m0./s1
InChI Key:
GRVMJKAAXNELJW-FVGYRXGTSA-N
SMILES:
CC[C@@H](c1ccccc1)N.Cl
Properties
Complexity:
84.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
171.081g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
171.668g/mol
Monoisotopic Mass:
171.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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