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141330-12-3 | Benzenemethanamine, N-2-cyclohexen-1-yl-
CAS No: 141330-12-3 Catalog No: AG001G8F MDL No:
Product Description
Catalog Number:
AG001G8F
Chemical Name:
Benzenemethanamine, N-2-cyclohexen-1-yl-
CAS Number:
141330-12-3
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
IUPAC Name:
N-benzylcyclohex-2-en-1-amine
InChI:
InChI=1S/C13H17N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1,3-5,7-9,13-14H,2,6,10-11H2
InChI Key:
JOJRSPBFDPRDTA-UHFFFAOYSA-N
SMILES:
C1CC=CC(C1)NCc1ccccc1
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.286g/mol
Monoisotopic Mass:
187.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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