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1170102-51-8 | Phenol, 4-(3-piperidinylmethyl)-, hydrochloride (1:1)
CAS No: 1170102-51-8 Catalog No: AG000DJJ MDL No:MFCD08669680
Product Description
Catalog Number:
AG000DJJ
Chemical Name:
Phenol, 4-(3-piperidinylmethyl)-, hydrochloride (1:1)
CAS Number:
1170102-51-8
Molecular Formula:
C12H18ClNO
Molecular Weight:
227.7304
MDL Number:
MFCD08669680
IUPAC Name:
4-(piperidin-3-ylmethyl)phenol;hydrochloride
InChI:
InChI=1S/C12H17NO.ClH/c14-12-5-3-10(4-6-12)8-11-2-1-7-13-9-11;/h3-6,11,13-14H,1-2,7-9H2;1H
InChI Key:
GSNBTANOZQDYOG-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)CC1CCCNC1.Cl
Properties
Complexity:
164
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:
3
Isotope Atom Count:
0
Molecular Weight:
227.732g/mol
Monoisotopic Mass:
227.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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