Home Other Building Blocks (3,4-Dihydro-1h-isochromen-1-ylmethyl)amine

(3,4-Dihydro-1h-isochromen-1-ylmethyl)amine

CAS No.:
19158-90-8
Catalog Number:
AG002FCG
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
500mg
95%
In Stock USA
United States
$151
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Product Description
Catalog Number:
AG002FCG
Chemical Name:
(3,4-Dihydro-1h-isochromen-1-ylmethyl)amine
CAS Number:
19158-90-8
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
MDL Number:
MFCD00457645
IUPAC Name:
3,4-dihydro-1H-isochromen-1-ylmethanamine
InChI:
InChI=1S/C10H13NO/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-4,10H,5-7,11H2
InChI Key:
ILJDAFPFCCVDKU-UHFFFAOYSA-N
SMILES:
NCC1OCCc2c1cccc2
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  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties