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1048921-98-7 | (2,3-Dimethyl-phenyl)-prop-2-ynyl-amine
CAS No: 1048921-98-7 Catalog No: AG01EQO8 MDL No:
Product Description
Catalog Number:
AG01EQO8
Chemical Name:
(2,3-Dimethyl-phenyl)-prop-2-ynyl-amine
CAS Number:
1048921-98-7
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
IUPAC Name:
2,3-dimethyl-N-prop-2-ynylaniline
InChI:
InChI=1S/C11H13N/c1-4-8-12-11-7-5-6-9(2)10(11)3/h1,5-7,12H,8H2,2-3H3
InChI Key:
XTVHWZXQQWJDMT-UHFFFAOYSA-N
SMILES:
Cc1c(NCC#C)cccc1C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.232g/mol
Monoisotopic Mass:
159.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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