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8-Methylchroman-4-amine

CAT: 0127-OR1100173Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1100173Size:1 g
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CAS Number
754958-74-2
MDL Number
MFCD07374028
Purity
95+%
Smiles
CC1=C2C (=CC=C1) C (CCO2) N

Chemical Information

8-Methylchroman-4-amine
CAS Number754958-74-2
PubChem CID16244408
IUPAC Name8-methyl-3,4-dihydro-2H-chromen-4-amine
Molecular FormulaC10H13NO
Molecular Weight163.22
XLogP1.3
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity160
SMILES
CC1=C2C(=CC=C1)C(CCO2)N
InChI
InChI=1S/C10H13NO/c1-7-3-2-4-8-9(11)5-6-12-10(7)8/h2-4,9H,5-6,11H2,1H3
InChIKey
MREWRJVSLAQYFQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Methylchroman-4-amine
CAS: 754958-74-2
CID: 16244408
Formula: C10H13NO
MW: 163.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.22
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass163.099714038
Monoisotopic Mass163.099714038
Topological Polar Surface Area35.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity160
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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