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1000507-30-1 | Benzeneethanamine, 4-(3-pyrrolidinyloxy)-
CAS No: 1000507-30-1 Catalog No: AG0000O3 MDL No:MFCD09924818
Product Description
Catalog Number:
AG0000O3
Chemical Name:
Benzeneethanamine, 4-(3-pyrrolidinyloxy)-
CAS Number:
1000507-30-1
Molecular Formula:
C12H18N2O
Molecular Weight:
206.2841
MDL Number:
MFCD09924818
IUPAC Name:
2-(4-pyrrolidin-3-yloxyphenyl)ethanamine
InChI:
InChI=1S/C12H18N2O/c13-7-5-10-1-3-11(4-2-10)15-12-6-8-14-9-12/h1-4,12,14H,5-9,13H2
InChI Key:
LDFQXSKZZJTLSH-UHFFFAOYSA-N
SMILES:
NCCc1ccc(cc1)OC1CNCC1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.142g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.289g/mol
Monoisotopic Mass:
206.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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