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16045-94-6 | Benzenemethanamine, N-(3-chloropropyl)-N-(phenylmethyl)-
CAS No: 16045-94-6 Catalog No: AG001RXG MDL No:MFCD00898158
Product Description
Catalog Number:
AG001RXG
Chemical Name:
Benzenemethanamine, N-(3-chloropropyl)-N-(phenylmethyl)-
CAS Number:
16045-94-6
Molecular Formula:
C17H20ClN
Molecular Weight:
273.8004
MDL Number:
MFCD00898158
IUPAC Name:
N,N-dibenzyl-3-chloropropan-1-amine
InChI:
InChI=1S/C17H20ClN/c18-12-7-13-19(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2
InChI Key:
LHJJKBNOKYQDFO-UHFFFAOYSA-N
SMILES:
ClCCCN(Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.128g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.804g/mol
Monoisotopic Mass:
273.128g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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