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75893-80-0 | 6-Benzyloxy-1,2,3,4-tetrahydro-quinoline
CAS No: 75893-80-0 Catalog No: AG00JP64 MDL No:MFCD11126886
Product Description
Catalog Number:
AG00JP64
Chemical Name:
6-Benzyloxy-1,2,3,4-tetrahydro-quinoline
CAS Number:
75893-80-0
Molecular Formula:
C16H17NO
Molecular Weight:
239.3123
MDL Number:
MFCD11126886
IUPAC Name:
6-phenylmethoxy-1,2,3,4-tetrahydroquinoline
InChI:
InChI=1S/C16H17NO/c1-2-5-13(6-3-1)12-18-15-8-9-16-14(11-15)7-4-10-17-16/h1-3,5-6,8-9,11,17H,4,7,10,12H2
InChI Key:
IIBAIGFSRDHPLM-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)COc1ccc2c(c1)CCCN2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.318g/mol
Monoisotopic Mass:
239.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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