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(S) -1-Aminoindane-d3

CAT: 0926-VWC78704-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-VWC78704-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1795787-04-0
Smiles
C1CC2=CC=CC=C2C1N
Molecular Formula
C9H11N
Molecular Weight
136.21 g/mol
Controlled
No

Chemical Information

(S)-1-Aminoindane-d3
CAS Number1795787-04-0
PubChem CID71313282
IUPAC Name(1S)-1,2,2-trideuterio-3H-inden-1-amine
Molecular FormulaC9H11N
Molecular Weight136.21
XLogP1.2
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity122
SMILES
[2H][C@]1(C2=CC=CC=C2CC1([2H])[2H])N
InChI
InChI=1S/C9H11N/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6,10H2/t9-/m0/s1/i6D2,9D
InChIKey
XJEVHMGJSYVQBQ-BJCVOOPNSA-N
Chemical Structure
2D Structure
2D structure of (S)-1-Aminoindane-d3
CAS: 1795787-04-0
CID: 71313282
Formula: C9H11N
MW: 136.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.21
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass136.107979593
Monoisotopic Mass136.107979593
Topological Polar Surface Area26 Ų
Heavy Atom Count10
Formal Charge0
Complexity122
Isotope Atom Count3
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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