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Dehydroabietylamine

CAS No.:
1446-61-3
Catalog Number:
AG001JTN
Molecular Formula:
C20H31N
Molecular Weight:
285.4668
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
90%
In Stock USA
United States
$32
- +
100g
90%
In Stock USA
United States
$113
- +
Product Description
Catalog Number:
AG001JTN
Chemical Name:
Dehydroabietylamine
CAS Number:
1446-61-3
Molecular Formula:
C20H31N
Molecular Weight:
285.4668
MDL Number:
MFCD00213430
IUPAC Name:
[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine
InChI:
InChI=1S/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3/t18-,19-,20+/m0/s1
InChI Key:
JVVXZOOGOGPDRZ-SLFFLAALSA-N
SMILES:
NC[C@]1(C)CCC[C@]2([C@H]1CCc1c2ccc(c1)C(C)C)C
EC Number:
215-899-7
UNII:
33289O147P
NSC Number:
2955
Properties
Complexity:
376  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
285.246g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
285.475g/mol
Monoisotopic Mass:
285.246g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4  
Literature
Title Journal
Human Adenine Nucleotide Translocase (ANT) Modulators Identified by High-Throughput Screening of Transgenic Yeast. Journal of biomolecular screening 20160401
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties