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1000993-69-0 | 2-Furanmethanamine, α-ethyl-5-methyl-4-(1-methylethyl)-, (αR)-
CAS No: 1000993-69-0 Catalog No: AG0000X1 MDL No:
Product Description
Catalog Number:
AG0000X1
Chemical Name:
2-Furanmethanamine, α-ethyl-5-methyl-4-(1-methylethyl)-, (αR)-
CAS Number:
1000993-69-0
Molecular Formula:
C11H19NO
Molecular Weight:
181.2747
IUPAC Name:
(1R)-1-(5-methyl-4-propan-2-ylfuran-2-yl)propan-1-amine
InChI:
InChI=1S/C11H19NO/c1-5-10(12)11-6-9(7(2)3)8(4)13-11/h6-7,10H,5,12H2,1-4H3/t10-/m1/s1
InChI Key:
KXWWRDHKXRRUNF-SNVBAGLBSA-N
SMILES:
CC[C@H](c1cc(c(o1)C)C(C)C)N
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
181.147g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.279g/mol
Monoisotopic Mass:
181.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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