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147769-93-5 | Benzenemethanamine, α-(2-methylpropyl)-2-(1-piperidinyl)-, (αS)-
CAS No: 147769-93-5 Catalog No: AG001F6M MDL No:MFCD03839861
Product Description
Catalog Number:
AG001F6M
Chemical Name:
Benzenemethanamine, α-(2-methylpropyl)-2-(1-piperidinyl)-, (αS)-
CAS Number:
147769-93-5
Molecular Formula:
C16H26N2
Molecular Weight:
246.3910
MDL Number:
MFCD03839861
IUPAC Name:
(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine
InChI:
InChI=1S/C16H26N2/c1-13(2)12-15(17)14-8-4-5-9-16(14)18-10-6-3-7-11-18/h4-5,8-9,13,15H,3,6-7,10-12,17H2,1-2H3/t15-/m0/s1
InChI Key:
CARYLRSDNWJCJV-HNNXBMFYSA-N
SMILES:
CC(C[C@@H](c1ccccc1N1CCCCC1)N)C
UNII:
DRF24F0TA7
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
246.21g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.398g/mol
Monoisotopic Mass:
246.21g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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