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(Benzyloxy) (propyl) amine

CAT: 0926-WEA28995-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-WEA28995-01Size:50 mg
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CAS Number
121289-95-0
MDL Number
MFCD21116695
Smiles
CCCNOCC1=CC=CC=C1
Molecular Formula
C10H15NO
Molecular Weight
165.23 g/mol
Controlled
No

Chemical Information

(Benzyloxy)(propyl)amine
CAS Number121289-95-0
PubChem CID15366667
IUPAC NameN-phenylmethoxypropan-1-amine
Molecular FormulaC10H15NO
Molecular Weight165.23
XLogP2.2
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count12
Formal Charge0
Complexity100
SMILES
CCCNOCC1=CC=CC=C1
InChI
InChI=1S/C10H15NO/c1-2-8-11-12-9-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKey
SWXHOAXBDOLRHQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (Benzyloxy)(propyl)amine
CAS: 121289-95-0
CID: 15366667
Formula: C10H15NO
MW: 165.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight165.23
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass165.115364102
Monoisotopic Mass165.115364102
Topological Polar Surface Area21.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity100
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes