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Home Other Building Blocks 2-(2,9-diazabicyclo[4.3.0]nona-2,4,7,10-tetraen-7-yl)ethanamine

2-(2,9-diazabicyclo[4.3.0]nona-2,4,7,10-tetraen-7-yl)ethanamine

CAS No.:
4649-12-1
Catalog Number:
AG00DHXJ
Molecular Formula:
C9H11N3
Molecular Weight:
161.2037
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Product Description
Catalog Number:
AG00DHXJ
Chemical Name:
2-(2,9-diazabicyclo[4.3.0]nona-2,4,7,10-tetraen-7-yl)ethanamine
CAS Number:
4649-12-1
Molecular Formula:
C9H11N3
Molecular Weight:
161.2037
MDL Number:
MFCD10697517
IUPAC Name:
2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine
InChI:
InChI=1S/C9H11N3/c10-4-3-7-6-12-9-8(7)2-1-5-11-9/h1-2,5-6H,3-4,10H2,(H,11,12)
InChI Key:
CSBXAJWXUYDUTM-UHFFFAOYSA-N
SMILES:
NCCc1c[nH]c2c1cccn2
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.095g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
161.208g/mol
Monoisotopic Mass:
161.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
A facile chemoenzymatic approach: one-step syntheses of monoterpenoid indole alkaloids. Chemistry, an Asian journal 20101102
Improved expression of His(6)-tagged strictosidine synthase cDNA for chemo-enzymatic alkaloid diversification. Chemistry & biodiversity 20100401
Properties