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102236-18-0 | Benzenemethanamine, 4-chloro-N-ethyl-, hydrochloride (1:1)
CAS No: 102236-18-0 Catalog No: AG000709 MDL No:MFCD07106854
Product Description
Catalog Number:
AG000709
Chemical Name:
Benzenemethanamine, 4-chloro-N-ethyl-, hydrochloride (1:1)
CAS Number:
102236-18-0
Molecular Formula:
C9H13Cl2N
Molecular Weight:
206.1122
MDL Number:
MFCD07106854
IUPAC Name:
N-[(4-chlorophenyl)methyl]ethanamine;hydrochloride
InChI:
InChI=1S/C9H12ClN.ClH/c1-2-11-7-8-3-5-9(10)6-4-8;/h3-6,11H,2,7H2,1H3;1H
InChI Key:
MXQGTQFOWKTKSP-UHFFFAOYSA-N
SMILES:
CCNCc1ccc(cc1)Cl.Cl
Properties
Complexity:
97.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
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:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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