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13238-99-8 | Phenol, 4-(2-amino-1-methylethyl)-, hydrochloride (1:1)
CAS No: 13238-99-8 Catalog No: AG0010M7 MDL No:MFCD01731745
Product Description
Catalog Number:
AG0010M7
Chemical Name:
Phenol, 4-(2-amino-1-methylethyl)-, hydrochloride (1:1)
CAS Number:
13238-99-8
Molecular Formula:
C9H14ClNO
Molecular Weight:
187.6666
MDL Number:
MFCD01731745
IUPAC Name:
4-(1-aminopropan-2-yl)phenol;hydrochloride
InChI:
InChI=1S/C9H13NO.ClH/c1-7(6-10)8-2-4-9(11)5-3-8;/h2-5,7,11H,6,10H2,1H3;1H
InChI Key:
UXZSGASODZXHEJ-UHFFFAOYSA-N
SMILES:
NCC(c1ccc(cc1)O)C.Cl
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.076g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
187.667g/mol
Monoisotopic Mass:
187.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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