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101022-73-5 | Phenol, 3-[(3,4-dihydro-2H-pyrrol-5-yl)amino]-2-methyl-, hydrochloride (1:1)
CAS No: 101022-73-5 Catalog No: AG0003KO MDL No:
Product Description
Catalog Number:
AG0003KO
Chemical Name:
Phenol, 3-[(3,4-dihydro-2H-pyrrol-5-yl)amino]-2-methyl-, hydrochloride (1:1)
CAS Number:
101022-73-5
Molecular Formula:
C11H15ClN2O
Molecular Weight:
226.7026
IUPAC Name:
3-(3,4-dihydro-2H-pyrrol-5-ylamino)-2-methylphenol
InChI:
InChI=1S/C11H14N2O/c1-8-9(4-2-5-10(8)14)13-11-6-3-7-12-11/h2,4-5,14H,3,6-7H2,1H3,(H,12,13)
InChI Key:
RJMFQJOCGMJAME-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1C)NC1=NCCC1.Cl
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.246g/mol
Monoisotopic Mass:
190.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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