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72954-91-7 | 1-(4-chlorophenyl)-2-methylpropan-1-amine hydrochloride
CAS No: 72954-91-7 Catalog No: AG003APR MDL No:MFCD28126643
Product Description
Catalog Number:
AG003APR
Chemical Name:
1-(4-chlorophenyl)-2-methylpropan-1-amine hydrochloride
CAS Number:
72954-91-7
Molecular Formula:
C10H15Cl2N
Molecular Weight:
220.1388
MDL Number:
MFCD28126643
IUPAC Name:
1-(4-chlorophenyl)-2-methylpropan-1-amine;hydrochloride
InChI:
InChI=1S/C10H14ClN.ClH/c1-7(2)10(12)8-3-5-9(11)6-4-8;/h3-7,10H,12H2,1-2H3;1H
InChI Key:
VCBGQWZZQKYLLK-UHFFFAOYSA-N
SMILES:
NC(c1ccc(cc1)Cl)C(C)C.Cl
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.137g/mol
Monoisotopic Mass:
219.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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