Home Other Building Blocks [(3S)-3,4-dihydro-1H-2-benzopyran-3-yl]methanamine

[(3S)-3,4-dihydro-1H-2-benzopyran-3-yl]methanamine

CAS No.:
2031242-45-0
Catalog Number:
AG01BUSK
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
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Product Description
Catalog Number:
AG01BUSK
Chemical Name:
[(3S)-3,4-dihydro-1H-2-benzopyran-3-yl]methanamine
CAS Number:
2031242-45-0
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
MDL Number:
MFCD30345390
IUPAC Name:
3,4-dihydro-1H-isochromen-3-ylmethanamine
InChI:
InChI=1S/C10H13NO/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-4,10H,5-7,11H2
InChI Key:
MMZKPTNDPNDNKS-UHFFFAOYSA-N
SMILES:
NC[C@H]1OCc2c(C1)cccc2
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.1g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
163.22g/mol
Monoisotopic Mass:
163.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties