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1235441-67-4 | Benzenemethanamine, 3-(cyclopentyloxy)-, hydrochloride (1:1)
CAS No: 1235441-67-4 Catalog No: AG000KS2 MDL No:MFCD16040134
Product Description
Catalog Number:
AG000KS2
Chemical Name:
Benzenemethanamine, 3-(cyclopentyloxy)-, hydrochloride (1:1)
CAS Number:
1235441-67-4
Molecular Formula:
C12H18ClNO
Molecular Weight:
227.7304
MDL Number:
MFCD16040134
IUPAC Name:
(3-cyclopentyloxyphenyl)methanamine;hydrochloride
InChI:
InChI=1S/C12H17NO.ClH/c13-9-10-4-3-7-12(8-10)14-11-5-1-2-6-11;/h3-4,7-8,11H,1-2,5-6,9,13H2;1H
InChI Key:
SPJGABRMICZEDC-UHFFFAOYSA-N
SMILES:
NCc1cccc(c1)OC1CCCC1.Cl
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.108g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.732g/mol
Monoisotopic Mass:
227.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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