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146954-33-8 | Benzenepropanamine, 2-azido-
CAS No: 146954-33-8 Catalog No: AG001EHH MDL No:
Product Description
Catalog Number:
AG001EHH
Chemical Name:
Benzenepropanamine, 2-azido-
CAS Number:
146954-33-8
Molecular Formula:
C9H12N4
Molecular Weight:
176.2184
IUPAC Name:
3-(2-azidophenyl)propan-1-amine
InChI:
InChI=1S/C9H12N4/c10-7-3-5-8-4-1-2-6-9(8)12-13-11/h1-2,4,6H,3,5,7,10H2
InChI Key:
SYRSLGMKAUCZOE-UHFFFAOYSA-N
SMILES:
NCCCc1ccccc1N=[N+]=[N-]
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.223g/mol
Monoisotopic Mass:
176.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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