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LSD1-C76, LSD1 Inhibitor

CAT: 0498-bs-66045C-01Size: 10 mM in DMSO (0.678 mL)Dry Ice: NoHazardous: No
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CAT#:0498-bs-66045C-01Size:10 mM in DMSO (0.678 mL)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1235864-15-9
Conjugation
Unconjugated
Purity
98
Buffer
Powder
Solubility
DMSO up to 100 mM
Smiles
CC(N[C@@H]1C[C@H]1C1C=CC=CC=1)C1=CC2OCCOC=2C=C1
Molecular Formula
C19 H21 N O2
Molecular Weight
295.38
InChI
InChI=1S/C19H21NO2/c1-13 (15-7-8-18-19 (11-15) 22-10-9-21-18) 20-17-12-16 (17) 14-5-3-2-4-6-14/h2-8,11,13,16-17,20H,9-10,12H2,1H3/t13?,16-,17+/m0/s1
Storage Conditions
Store in dry, dark place at -20C for 1 year.
Shelf Life
1 year
Appearance
Solid Power.

Chemical Information

trans-(1R,2S)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylcyclopropan-1-amine
CAS Number1235864-15-9
PubChem CID46869214
IUPAC Nametrans-(1R,2S)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylcyclopropan-1-amine
Molecular FormulaC19H21NO2
Molecular Weight295.4
XLogP3.4
Topological Polar Surface Area30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity368
SMILES
CC(C1=CC2=C(C=C1)OCCO2)N[C@@H]3C[C@H]3C4=CC=CC=C4
InChI
InChI=1S/C19H21NO2/c1-13(15-7-8-18-19(11-15)22-10-9-21-18)20-17-12-16(17)14-5-3-2-4-6-14/h2-8,11,13,16-17,20H,9-10,12H2,1H3/t13?,16-,17+/m0/s1
InChIKey
PAXGPAVOMLKKDQ-ZMKYACIDSA-N
Chemical Structure
2D Structure
2D structure of trans-(1R,2S)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylcyclopropan-1-amine
CAS: 1235864-15-9
CID: 46869214
Formula: C19H21NO2
MW: 295.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.4
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass295.157228913
Monoisotopic Mass295.157228913
Topological Polar Surface Area30.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity368
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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