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116222-78-7 | 1-Buten-1-amine, N,N-dimethyl-4-(2-methylphenyl)-, (E)- (9CI)
CAS No: 116222-78-7 Catalog No: AG000BYA MDL No:
Product Description
Catalog Number:
AG000BYA
Chemical Name:
1-Buten-1-amine, N,N-dimethyl-4-(2-methylphenyl)-, (E)- (9CI)
CAS Number:
116222-78-7
Molecular Formula:
C13H19N
Molecular Weight:
189.2967
IUPAC Name:
N,N-dimethyl-4-(2-methylphenyl)but-1-en-1-amine
InChI:
InChI=1S/C13H19N/c1-12-8-4-5-9-13(12)10-6-7-11-14(2)3/h4-5,7-9,11H,6,10H2,1-3H3
InChI Key:
WLLVJBLFCMDNPU-UHFFFAOYSA-N
SMILES:
CN(/C=C/CCc1ccccc1C)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.152g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.302g/mol
Monoisotopic Mass:
189.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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