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99858-57-8 | 1-Butanol, 4-[(phenylmethylene)amino]-
CAS No: 99858-57-8 Catalog No: AG003W6X MDL No:
Product Description
Catalog Number:
AG003W6X
Chemical Name:
1-Butanol, 4-[(phenylmethylene)amino]-
CAS Number:
99858-57-8
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
IUPAC Name:
4-(benzylideneamino)butan-1-ol
InChI:
InChI=1S/C11H15NO/c13-9-5-4-8-12-10-11-6-2-1-3-7-11/h1-3,6-7,10,13H,4-5,8-9H2
InChI Key:
IXFMZSMCTBIGTC-UHFFFAOYSA-N
SMILES:
OCCCCN=Cc1ccccc1
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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