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40648-92-8 | (S)-Bis((S)-1-phenylethyl)amine hydrochloride
CAS No: 40648-92-8 Catalog No: AG003BBB MDL No:MFCD00216671
Product Description
Catalog Number:
AG003BBB
Chemical Name:
(S)-Bis((S)-1-phenylethyl)amine hydrochloride
CAS Number:
40648-92-8
Molecular Formula:
C16H20ClN
Molecular Weight:
261.7897
MDL Number:
MFCD00216671
IUPAC Name:
(1S)-1-phenyl-N-[(1S)-1-phenylethyl]ethanamine;hydrochloride
InChI:
InChI=1S/C16H19N.ClH/c1-13(15-9-5-3-6-10-15)17-14(2)16-11-7-4-8-12-16;/h3-14,17H,1-2H3;1H/t13-,14-;/m0./s1
InChI Key:
ZBQCLJZOKDRAOW-IODNYQNNSA-N
SMILES:
C[C@@H](c1ccccc1)N[C@H](c1ccccc1)C.Cl
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
261.128g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.793g/mol
Monoisotopic Mass:
261.128g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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