1H-Inden-1-amine, 2,3-dihydro-N-2-propynyl-, (1S)-


Chemical Name: 1H-Inden-1-amine, 2,3-dihydro-N-2-propynyl-, (1S)-
CAS Number: 185517-74-2
Product Number: AG007TAR(AGN-PC-0O5F05)
Synonyms:
MDL No: MFCD09029306
Molecular Formula: C12H13N
Molecular Weight: 171.2383

Identification/Properties


Computed Properties
Molecular Weight:
171.243g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
171.105g/mol
Monoisotopic Mass:
171.105g/mol
Topological Polar Surface Area:
12A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
212
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3077
Hazard Statements:
H302-H400
Precautionary Statements:
P273
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


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