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20110-53-6 | Benzeneethanamine, 3-chloro-α,β-dimethyl-, hydrochloride (1:1)
CAS No: 20110-53-6 Catalog No: AG002D6T MDL No:
Product Description
Catalog Number:
AG002D6T
Chemical Name:
Benzeneethanamine, 3-chloro-α,β-dimethyl-, hydrochloride (1:1)
CAS Number:
20110-53-6
Molecular Formula:
C10H15Cl2N
Molecular Weight:
220.1388
IUPAC Name:
3-(3-chlorophenyl)butan-2-amine;hydrochloride
InChI:
InChI=1S/C10H14ClN.ClH/c1-7(8(2)12)9-4-3-5-10(11)6-9;/h3-8H,12H2,1-2H3;1H
InChI Key:
VSPNRBGJKQFHRX-UHFFFAOYSA-N
SMILES:
CC(C(c1cccc(c1)Cl)C)N.Cl
Properties
Complexity:
138
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:
2
Undefined Bond Stereocenter Count:
0
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