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Harman-13C2,15N

CAT: 0572-TRC-H105002-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H105002-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1189461-56-0
Hazard Statement
May cause genetic defects.
Purity
>95% (HPLC)
Smiles
Cc1[15n][13cH][13cH]c2c3ccccc3[nH]c12
Molecular Formula
C1013C2H10N15N
Molecular Weight
185.2
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Harman-13C2,15N

See also: Harman (annotation moved to).

CAS Number1189461-56-0
PubChem CID46781678
IUPAC Name1-methyl-9H-(5,6-13C2,115N)pyridino[3,4-b]indole
Molecular FormulaC12H10N2
Molecular Weight185.20
XLogP3.6
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity216
SMILES
CC1=[15N][13CH]=[13CH]C2=C1NC3=CC=CC=C32
InChI
InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3/i6+1,7+1,13+1
InChIKey
PSFDQSOCUJVVGF-NSFXFQGJSA-N
Chemical Structure
2D Structure
2D structure of Harman-13C2,15N
CAS: 1189461-56-0
CID: 46781678
Formula: C12H10N2
MW: 185.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight185.20
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass185.088142892
Monoisotopic Mass185.088142892
Topological Polar Surface Area28.7 Ų
Heavy Atom Count14
Formal Charge0
Complexity216
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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