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7426-89-3 | 3H-Azepin-2-amine
CAS No: 7426-89-3 Catalog No: AG005CQT MDL No:
Product Description
Catalog Number:
AG005CQT
Chemical Name:
3H-Azepin-2-amine
CAS Number:
7426-89-3
Molecular Formula:
C6H8N2
Molecular Weight:
108.1411
IUPAC Name:
3H-azepin-2-amine
InChI:
InChI=1S/C6H8N2/c7-6-4-2-1-3-5-8-6/h1-3,5H,4H2,(H2,7,8)
InChI Key:
ACRHNQMZEPQLHS-UHFFFAOYSA-N
SMILES:
NC1=NC=CC=CC1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.069g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
108.144g/mol
Monoisotopic Mass:
108.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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