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7143-91-1 | 1-(aminomethyl)-4b,8-dimethyl-3-(propan-2-yl)dodecahydro-1h-3,10a-ethanophenanthrene-8-carboxylic acid
CAS No: 7143-91-1 Catalog No: AG005IL5 MDL No:
Product Description
Catalog Number:
AG005IL5
Chemical Name:
1-(aminomethyl)-4b,8-dimethyl-3-(propan-2-yl)dodecahydro-1h-3,10a-ethanophenanthrene-8-carboxylic acid
CAS Number:
7143-91-1
Molecular Formula:
C23H39NO2
Molecular Weight:
361.5613
IUPAC Name:
14-(aminomethyl)-5,9-dimethyl-12-propan-2-yltetracyclo[10.2.2.01,10.04,9]hexadecane-5-carboxylic acid
InChI:
InChI=1S/C23H39NO2/c1-15(2)22-10-11-23(16(12-22)14-24)9-6-17-20(3,18(23)13-22)7-5-8-21(17,4)19(25)26/h15-18H,5-14,24H2,1-4H3,(H,25,26)
InChI Key:
CFSIKOAGZWBLPX-UHFFFAOYSA-N
SMILES:
NCC1CC2(CCC31CCC1C(C3C2)(C)CCCC1(C)C(=O)O)C(C)C
NSC Number:
70194
Properties
Complexity:
603
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.298g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
361.57g/mol
Monoisotopic Mass:
361.298g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
7
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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