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83416-73-3 | 1,3-Propanediamine, 2-(phenylmethyl)-
CAS No: 83416-73-3 Catalog No: AG004VJW MDL No:
Product Description
Catalog Number:
AG004VJW
Chemical Name:
1,3-Propanediamine, 2-(phenylmethyl)-
CAS Number:
83416-73-3
Molecular Formula:
C10H16N2
Molecular Weight:
164.2474
IUPAC Name:
2-benzylpropane-1,3-diamine
InChI:
InChI=1S/C10H16N2/c11-7-10(8-12)6-9-4-2-1-3-5-9/h1-5,10H,6-8,11-12H2
InChI Key:
PHZBNNLFBKTVLD-UHFFFAOYSA-N
SMILES:
NCC(Cc1ccccc1)CN
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.252g/mol
Monoisotopic Mass:
164.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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