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CAS Number: 1606-67-3
pyren-1-amine

Structure

pyren-1-amine
Name: pyren-1-amine
Synonyms:
General Information
Product Number: 1606673

CAS Registry Number 1606-67-3
Name:
1-​Pyrenamine
1-Aminopyren
1-Aminopyrene
3-Aminopyrene
NSC 11436
α-Aminopyrene

 

Chemical Formula: C16H11N
Exact Mass: 217.09
Molecular Weight: 217.27
m/z: 217.09 (100.0%), 218.09 (17.7%), 219.10 (1.4%)

 

InChI:InChI=1S/C16H11N/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,17H2

InChI Key:YZVWKHVRBDQPMQ-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)N

Specification

98%

References
  1. (7) Singh, Jyoti; Journal of the Indian Chemical Society 2008, V85(5), P517-535 CAPLUS
  2. (12) Bhat, Krishna L.; QSAR & Combinatorial Science 2005, V24(7), P831-843 CAPLUS
  3. (26) Chakraborti, Himadri; Physical Chemistry Chemical Physics 2013, V15(45), P19932-19938 CAPLUS
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