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13198-21-5 | 2-Naphthalenepropanamine
CAS No: 13198-21-5 Catalog No: AG00100I MDL No:
Product Description
Catalog Number:
AG00100I
Chemical Name:
2-Naphthalenepropanamine
CAS Number:
13198-21-5
Molecular Formula:
C13H15N
Molecular Weight:
185.2649
IUPAC Name:
3-naphthalen-2-ylpropan-1-amine
InChI:
InChI=1S/C13H15N/c14-9-3-4-11-7-8-12-5-1-2-6-13(12)10-11/h1-2,5-8,10H,3-4,9,14H2
InChI Key:
JHUYTXKVFLOJSS-UHFFFAOYSA-N
SMILES:
NCCCc1ccc2c(c1)cccc2
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.27g/mol
Monoisotopic Mass:
185.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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