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(3-Methyloxan-3-yl) methanamine

CAT: 0926-IWB76003-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-IWB76003-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1158760-03-2
MDL Number
MFCD14582315
Smiles
CC1 (CCCOC1) CN
Molecular Formula
C7H15NO
Molecular Weight
129.2 g/mol
Controlled
No

Chemical Information

(3-Methyloxan-3-yl)methanamine
CAS Number1158760-03-2
PubChem CID63010634
IUPAC Name(3-methyloxan-3-yl)methanamine
Molecular FormulaC7H15NO
Molecular Weight129.20
XLogP0.3
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity94
SMILES
CC1(CCCOC1)CN
InChI
InChI=1S/C7H15NO/c1-7(5-8)3-2-4-9-6-7/h2-6,8H2,1H3
InChIKey
NHPAHRMUGJBXNA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3-Methyloxan-3-yl)methanamine
CAS: 1158760-03-2
CID: 63010634
Formula: C7H15NO
MW: 129.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight129.20
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass129.115364102
Monoisotopic Mass129.115364102
Topological Polar Surface Area35.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity94.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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