CHEMBRDG-BB 4021959
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CHEMBRDG-BB 4021959
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CAS No:
21630-48-8
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Formula:
C12H13N3
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Chemical Name:
CHEMBRDG-BB 4021959
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Synonyms:
CHEMBRDG-BB 4021959;N2-BENZYLPYRIDINE-2,5-DIAMINE;OTAVA-BB 7020710022;UKRORGSYN-BB BBV-212625;N~2~-benzylpyridine-2,5-diamine(SALTDATA: FREE);5-Amino-2-(benzylamino)pyridine;2-Benzylamino-5-nitropyridine;N-Benzyl-(5-nitropyridin-2-yl)amine
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CAS No:
Characteristics
50.9
2
1.206±0.06 g/cm3(Predicted)
400.8ºC at 760 mmHg
196.2ºC
1.684
1.24E-06mmHg at 25°C
Computed Properties
Molecular Weight:199.25
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:199.110947427
Monoisotopic Mass:199.110947427
Topological Polar Surface Area:50.9
Heavy Atom Count:15
Complexity:178
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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