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116169-49-4 | 3-Pyrrolidinemethanamine, 4-phenyl-
CAS No: 116169-49-4 Catalog No: AG000BT8 MDL No:
Product Description
Catalog Number:
AG000BT8
Chemical Name:
3-Pyrrolidinemethanamine, 4-phenyl-
CAS Number:
116169-49-4
Molecular Formula:
C11H16N2
Molecular Weight:
176.2581
IUPAC Name:
[(3R,4R)-4-phenylpyrrolidin-3-yl]methanamine;dihydrochloride
InChI:
InChI=1S/C11H16N2.2ClH/c12-6-10-7-13-8-11(10)9-4-2-1-3-5-9;;/h1-5,10-11,13H,6-8,12H2;2*1H/t10-,11+;;/m1../s1
InChI Key:
VAYZXVHSWPTLBZ-OXPNAJOUSA-N
SMILES:
NCC1CNCC1c1ccccc1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
248.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
249.179g/mol
Monoisotopic Mass:
248.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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