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(1S) -1- (2-anthryl) propylamine

CAT: 0127-OR1047669Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1047669Size:1 g
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CAS Number
1213936-15-2
MDL Number
MFCD11508144
Purity
95%
Smiles
CC[C@H](N)C1=CC=C2C=C3C=CC=CC3=CC2=C1

Chemical Information

(1S)-1-(2-Anthryl)propylamine
CAS Number1213936-15-2
PubChem CID145708361
IUPAC Name(1S)-1-anthracen-2-ylpropan-1-amine
Molecular FormulaC17H17N
Molecular Weight235.32
XLogP3.9
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity275
SMILES
CC[C@@H](C1=CC2=CC3=CC=CC=C3C=C2C=C1)N
InChI
InChI=1S/C17H17N/c1-2-17(18)15-8-7-14-9-12-5-3-4-6-13(12)10-16(14)11-15/h3-11,17H,2,18H2,1H3/t17-/m0/s1
InChIKey
SIQWZKPSJZCHNZ-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of (1S)-1-(2-Anthryl)propylamine
CAS: 1213936-15-2
CID: 145708361
Formula: C17H17N
MW: 235.32
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight235.32
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass235.136099547
Monoisotopic Mass235.136099547
Topological Polar Surface Area26 Ų
Heavy Atom Count18
Formal Charge0
Complexity275
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes