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1168139-40-9 | Benzenemethanamine, 3-chloro-α-ethyl-, hydrochloride (1:1), (αR)-
CAS No: 1168139-40-9 Catalog No: AG000D8H MDL No:
Product Description
Catalog Number:
AG000D8H
Chemical Name:
Benzenemethanamine, 3-chloro-α-ethyl-, hydrochloride (1:1), (αR)-
CAS Number:
1168139-40-9
Molecular Formula:
C9H13Cl2N
Molecular Weight:
206.1122
IUPAC Name:
(1R)-1-(3-chlorophenyl)propan-1-amine;hydrochloride
InChI:
InChI=1S/C9H12ClN.ClH/c1-2-9(11)7-4-3-5-8(10)6-7;/h3-6,9H,2,11H2,1H3;1H/t9-;/m1./s1
InChI Key:
WGBWFBWTSUGMNB-SBSPUUFOSA-N
SMILES:
CC[C@H](c1cccc(c1)Cl)N.Cl
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
205.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.11g/mol
Monoisotopic Mass:
205.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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