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6317-57-3 | 4-Benzylaniline hydrochloride
CAS No: 6317-57-3 Catalog No: AG003KSW MDL No:MFCD01679497
Product Description
Catalog Number:
AG003KSW
Chemical Name:
4-Benzylaniline hydrochloride
CAS Number:
6317-57-3
Molecular Formula:
C13H14ClN
Molecular Weight:
219.7100
MDL Number:
MFCD01679497
IUPAC Name:
4-benzylaniline;hydrochloride
InChI:
InChI=1S/C13H13N.ClH/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11;/h1-9H,10,14H2;1H
InChI Key:
GQGXIDBMRPMPCD-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Cc1ccccc1.Cl
NSC Number:
43061
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.081g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.712g/mol
Monoisotopic Mass:
219.081g/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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