Home Other Building Blocks N-(4-PROPYLPHENYL)-3,4,5,6-TETRAHYDRO-2H-AZEPIN-7-AMINE

N-(4-PROPYLPHENYL)-3,4,5,6-TETRAHYDRO-2H-AZEPIN-7-AMINE

CAS No.:
1508146-82-4
Catalog Number:
AG01ELLQ
Molecular Formula:
C15H22N2
Molecular Weight:
230.3486
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Product Description
Catalog Number:
AG01ELLQ
Chemical Name:
N-(4-PROPYLPHENYL)-3,4,5,6-TETRAHYDRO-2H-AZEPIN-7-AMINE
CAS Number:
1508146-82-4
Molecular Formula:
C15H22N2
Molecular Weight:
230.3486
MDL Number:
MFCD22697954
IUPAC Name:
N-(4-propylphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
InChI:
InChI=1S/C15H22N2/c1-2-6-13-8-10-14(11-9-13)17-15-7-4-3-5-12-16-15/h8-11H,2-7,12H2,1H3,(H,16,17)
InChI Key:
YNOWEHFIZNJGQX-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)NC1=NCCCCC1
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.178g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.355g/mol
Monoisotopic Mass:
230.178g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
24.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties